data_2ojm_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 2ojm _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.597 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' O ' HG21 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' HG11 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' THR . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' HIS . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.473 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' VAL . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.5 m-70 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.612 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.612 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.593 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' LYS . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 21' ' ' THR . 21.8 m-70 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.601 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.508 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.465 ' O ' HG13 ' A' ' 20' ' ' VAL . 64.4 m-70 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.547 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.583 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' VAL . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.0 m-70 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.496 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.482 ' O ' HG11 ' A' ' 20' ' ' VAL . 54.8 m-70 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.644 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.526 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' THR . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.593 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.524 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' HD21 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.468 ' O ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.542 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.578 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 11' ' ' HIS . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.578 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' THR . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.493 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.475 ' O ' HG11 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 21' ' ' THR . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.59 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.6 m170 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' HIS . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.446 ' O ' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.628 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.628 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' THR . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 14.5 m-70 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG11 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' THR . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.477 ' O ' HG21 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.619 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.619 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.7 m-70 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.517 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.581 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.9 m-70 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' VAL . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' O ' HG12 ' A' ' 5' ' ' ILE . 46.5 p90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.327 0.584 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.06 -82.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.225 -0.922 . . . . 0.0 110.572 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -68.23 -24.17 64.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.296 -0.877 . . . . 0.0 110.494 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.52 -22.55 66.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.186 -0.946 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.541 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 34.6 mm -108.24 -41.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 109.321 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.91 -27.66 5.55 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.4 mtp180 -88.13 -31.22 19.29 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -74.68 -36.43 48.31 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.597 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.459 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.8 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.137 0.494 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' CE1' ' CE2' ' A' ' 6' ' ' PHE . 79.4 t80 -45.95 -25.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 0.0 110.184 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.73 -37.36 7.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 110.139 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' HA ' ' CD ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.2 -12.94 31.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 110.415 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.528 HG22 ' CD1' ' A' ' 9' ' ' ILE . 33.6 mm -110.19 -47.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 121.542 0.687 . . . . 0.0 109.399 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.1 -27.58 3.53 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -88.51 -32.67 18.09 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.68 -34.48 59.67 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' HG11 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' THR . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' HIS . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.446 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.202 0.525 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -70.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -19.33 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.321 -0.862 . . . . 0.0 109.817 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -64.59 -10.77 28.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.365 -0.834 . . . . 0.0 110.239 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 30.6 mm -108.21 -42.43 5.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.609 -0.682 . . . . 0.0 109.418 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -27.12 3.38 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.214 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -91.59 -29.66 16.8 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -74.51 -34.63 53.7 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.584 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.473 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 20' ' ' VAL . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.469 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.5 m-70 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.62 -30.5 8.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -47.68 65.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.774 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' CD2' ' NH2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -70.54 -8.89 54.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.458 -0.777 . . . . 0.0 110.517 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.525 HG22 ' CD1' ' A' ' 9' ' ' ILE . 23.8 mm -102.67 -52.5 8.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.634 -0.666 . . . . 0.0 109.611 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -49.12 -31.46 8.18 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' NH2' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -86.37 -29.49 22.89 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -73.77 -35.38 54.86 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.612 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.612 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.479 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.471 ' O ' HG12 ' A' ' 5' ' ' ILE . 7.1 p90 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.336 0.588 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -59.97 -55.04 39.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -80.47 -16.65 53.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.191 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -66.33 -12.51 57.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 0.0 110.353 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.587 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 34.3 mm -110.23 -47.08 6.64 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.54 -0.725 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.68 -27.55 4.87 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 11.7 mtm180 -87.2 -32.19 19.93 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.31 -33.41 56.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 21' ' ' THR . 21.8 m-70 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' HIS . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.461 ' O ' HG12 ' A' ' 5' ' ' ILE . 41.4 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' PHE . 24.7 m-85 -43.54 -65.75 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 110.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -43.9 -44.07 6.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.466 -0.771 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.08 -16.53 7.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.509 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.571 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 27.8 mm -101.31 -37.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.014 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.1 m-85 -49.89 -27.53 5.34 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -88.49 -31.57 18.66 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.46 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -73.63 -34.06 57.32 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.601 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.508 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.465 ' O ' HG13 ' A' ' 20' ' ' VAL . 64.4 m-70 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' HIS . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.466 ' O ' HG12 ' A' ' 5' ' ' ILE . 6.7 t80 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.354 0.597 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.34 -24.64 67.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.973 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -66.69 -33.6 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -10.3 59.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.343 -0.848 . . . . 0.0 110.681 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.508 ' CG2' HD13 ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -52.74 7.89 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 121.591 -0.693 . . . . 0.0 109.702 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 5.8 t80 -49.68 -35.37 21.4 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.5 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.63 -30.23 36.71 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.547 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -74.51 -39.29 42.22 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.583 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' A' ' 20' ' ' VAL . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.353 0.597 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.98 -25.41 8.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.147 -0.971 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 7' ' ' ARG . 31.4 m170 -60.95 -47.96 84.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -0.949 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -10.5 44.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 0.0 110.233 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 8' ' ' GLY . 24.8 mm -103.17 -53.47 7.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.541 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.85 -29.91 8.95 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 177.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 3' ' ' HIS . 5.8 ptm85 -85.05 -32.45 22.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.51 -34.55 60.16 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.634 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.634 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.0 m-70 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 5' ' ' ILE . 21.4 p90 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.186 0.517 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' PHE . 43.3 t80 -42.34 -35.5 1.02 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -94.0 -26.26 16.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.14 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -67.78 -10.06 49.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 0.0 110.331 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.578 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 32.6 mm -109.48 -48.87 7.1 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.66 -0.65 . . . . 0.0 109.408 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.4 t80 -50.06 -28.89 7.81 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.0 mtm180 -87.08 -30.09 21.4 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -76.15 -34.94 45.1 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.595 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.473 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.595 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.482 ' O ' HG11 ' A' ' 20' ' ' VAL . 54.8 m-70 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.238 0.542 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -27.04 64.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.467 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 23.3 t60 -97.29 -30.03 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -17.57 8.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.521 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -108.85 -45.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -32.33 10.26 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 5.6 mtp-105 -82.8 -32.52 27.64 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -70.05 -36.16 72.17 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.644 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' THR . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.455 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.539 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -44.47 -28.38 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.901 . . . . 0.0 110.322 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -61.51 -43.54 98.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 110.18 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -73.99 -8.43 56.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.924 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 1' ' ' PHE . 11.0 mm -85.36 -62.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.694 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -51.43 -34.54 35.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 7.9 mtp180 -83.07 -28.5 29.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -74.6 -35.79 50.51 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.593 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.524 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' HD21 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' HIS . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 5' ' ' ILE . 16.5 p90 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.274 0.559 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.35 -62.31 1.32 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -57.92 -33.17 68.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.419 -0.801 . . . . 0.0 110.139 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -56.8 -16.1 5.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.245 -0.909 . . . . 0.0 110.398 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 1' ' ' PHE . 17.0 mm -90.42 -56.58 5.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 C-N-CA 119.811 -0.756 . . . . 0.0 109.072 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -52.43 -38.69 59.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.068 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.44 -27.19 38.01 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.519 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -73.39 -37.68 53.63 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.468 ' O ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.524 HD23 ' N ' ' A' ' 19' ' ' LEU . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.268 0.556 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -59.46 -22.69 61.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 3.4 t60 -89.23 -32.0 17.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -11.23 31.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 8' ' ' GLY . 29.1 mm -106.99 -49.59 8.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.051 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.34 -34.02 14.85 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 177.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 4.0 mtm105 -80.61 -32.02 36.47 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' O ' ' CG2' ' A' ' 12' ' ' VAL . . . -71.62 -40.34 59.16 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.578 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.549 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 20' ' ' VAL . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 15' ' ' THR . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.181 0.515 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -44.42 -44.06 8.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.2 m-70 -74.39 -23.12 58.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.443 -0.786 . . . . 0.0 110.035 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -65.79 -10.08 34.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 110.455 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 8' ' ' GLY . 27.2 mm -103.41 -52.51 8.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -49.11 -37.37 21.48 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 9.6 mtm180 -78.77 -31.18 46.0 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -69.43 -37.98 79.66 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.466 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.594 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.493 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.475 ' O ' HG11 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 ' O ' HG21 ' A' ' 21' ' ' THR . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.414 ' HA ' ' CG1' ' A' ' 5' ' ' ILE . 69.6 t80 -46.42 -30.32 2.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 58.8 t-80 -59.28 -45.44 91.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -67.71 -8.68 37.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 110.548 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . 11.2 mm -85.13 -62.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.588 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 5.7 t80 -51.19 -35.53 36.77 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 7' ' ' ARG . 1.7 mtp-105 -81.79 -28.42 33.22 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -75.94 -35.56 44.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.59 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' HG21 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.455 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' HG13 ' A' ' 20' ' ' VAL . 10.6 m170 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' HIS . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.439 ' HB3' ' HB2' ' A' ' 4' ' ' HIS . 15.7 m-85 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.338 0.589 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -51.01 -28.09 9.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 110.222 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -42.27 94.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 110.121 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -65.6 -10.37 34.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.827 . . . . 0.0 110.254 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' CG2' HD11 ' A' ' 9' ' ' ILE . 31.9 mm -111.44 -49.43 6.26 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.666 0.746 . . . . 0.0 109.198 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -49.46 -34.12 15.98 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.37 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.8 -31.4 25.9 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -69.21 -37.02 80.8 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.628 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.628 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 21' ' ' THR . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 36.3 p90 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 6.2 m-85 -46.78 -24.17 0.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.968 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.4 m-70 -79.3 -32.46 43.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.974 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -10.36 31.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.367 -0.833 . . . . 0.0 110.416 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' GLY . 20.8 mm -97.19 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.4 m-85 -49.12 -34.49 14.15 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -30.0 31.18 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.29 -36.18 50.96 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 14.5 m-70 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG11 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 15' ' ' THR . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.215 0.531 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -54.29 -31.3 53.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.083 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.9 t-160 -68.63 -28.46 66.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.964 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -12.41 61.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.852 . . . . 0.0 110.538 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -50.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.66 -0.65 . . . . 0.0 109.397 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.536 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 11.7 t80 -48.53 -38.41 20.28 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -76.57 -32.32 58.07 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.432 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -71.2 -39.6 62.27 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.619 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.7 m-70 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.47 ' O ' HG12 ' A' ' 5' ' ' ILE . 28.8 m-85 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.365 0.602 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 65.7 t80 -72.24 -37.61 69.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.935 . . . . 0.0 110.024 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 14.5 m-70 -101.44 -31.04 11.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.855 . . . . 0.0 110.267 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -13.45 55.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.883 . . . . 0.0 110.319 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -110.48 -47.08 6.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.641 -0.662 . . . . 0.0 109.386 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -49.79 -29.05 7.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.089 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 11.1 mtm105 -87.17 -30.65 20.86 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -74.29 -34.96 53.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.583 ' CD1' ' CG2' ' A' ' 5' ' ' ILE . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.9 m-70 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' VAL . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 20' ' ' VAL . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' HIS . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 17.1 t80 -42.12 -39.49 2.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.101 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.9 m-70 -100.91 -25.16 14.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.464 -0.773 . . . . 0.0 109.902 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -12.77 60.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.528 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 32.8 mm -110.13 -47.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.55 -28.92 6.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -86.81 -32.05 20.53 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -73.08 -34.44 58.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.579 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 11.6 m-70 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' GLY . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.591 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.631 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' GLY . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 13' ' ' GLY . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.0 m80 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 19' ' ' LEU . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.671 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.791 ' O ' HD13 ' A' ' 16' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.656 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 12' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.488 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.653 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 16' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.535 ' HA2' HD13 ' A' ' 16' ' ' ILE . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.51 ' O ' HD13 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 21' ' ' THR . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.712 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 8' ' ' GLY . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.0 m80 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 21' ' ' THR . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' HA2' ' A' ' 13' ' ' GLY . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.694 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' N ' HG22 ' A' ' 16' ' ' ILE . 47.9 m80 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.582 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.7 m80 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' THR . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.7 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 19' ' ' LEU . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.696 ' O ' HD12 ' A' ' 16' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 21' ' ' THR . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.742 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.778 ' O ' HD12 ' A' ' 16' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.822 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 15' ' ' THR . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.738 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.64 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 11' ' ' HIS . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' GLY . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' LEU . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.651 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 1.8 m80 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 21' ' ' THR . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.507 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.516 ' O ' HG12 ' A' ' 20' ' ' VAL . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.734 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 14.5 m-70 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 19' ' ' LEU . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.732 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.732 HD12 ' HA2' ' A' ' 13' ' ' GLY . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.3 m80 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.768 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.9 m-70 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' GLY . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.571 HD12 ' HA2' ' A' ' 13' ' ' GLY . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.748 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.637 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 8' ' ' GLY . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 5' ' ' ILE . 46.5 p90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.327 0.584 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.06 -82.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.225 -0.922 . . . . 0.0 110.572 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -68.23 -24.17 64.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.296 -0.877 . . . . 0.0 110.494 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.52 -22.55 66.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.186 -0.946 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.954 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.6 mm -108.24 -41.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 109.321 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.91 -27.66 5.55 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.4 mtp180 -88.13 -31.22 19.29 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.68 -36.43 48.31 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.954 ' CD1' HG22 ' A' ' 5' ' ' ILE . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' GLY . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.591 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.8 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.137 0.494 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' CE1' ' CE2' ' A' ' 6' ' ' PHE . 79.4 t80 -45.95 -25.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 0.0 110.184 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.73 -37.36 7.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 110.139 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.533 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.2 -12.94 31.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 110.415 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.836 HG22 ' CD1' ' A' ' 9' ' ' ILE . 33.6 mm -110.19 -47.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 121.542 0.687 . . . . 0.0 109.399 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.1 -27.58 3.53 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -88.51 -32.67 18.09 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.68 -34.48 59.67 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.836 ' CD1' HG22 ' A' ' 5' ' ' ILE . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.202 0.525 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -70.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -19.33 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.321 -0.862 . . . . 0.0 109.817 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -64.59 -10.77 28.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.365 -0.834 . . . . 0.0 110.239 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 9' ' ' ILE . 30.6 mm -108.21 -42.43 5.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.609 -0.682 . . . . 0.0 109.418 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -27.12 3.38 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.214 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -91.59 -29.66 16.8 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.51 -34.63 53.7 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 5' ' ' ILE . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' GLY . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 13' ' ' GLY . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.0 m80 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 19' ' ' LEU . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.62 -30.5 8.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -47.68 65.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.774 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.402 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -70.54 -8.89 54.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.458 -0.777 . . . . 0.0 110.517 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.93 HG22 ' CD1' ' A' ' 9' ' ' ILE . 23.8 mm -102.67 -52.5 8.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.634 -0.666 . . . . 0.0 109.611 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -49.12 -31.46 8.18 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -86.37 -29.49 22.89 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.77 -35.38 54.86 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.93 ' CD1' HG22 ' A' ' 5' ' ' ILE . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.791 ' O ' HD13 ' A' ' 16' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.656 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 12' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.488 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 4' ' ' HIS . 7.1 p90 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.336 0.588 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -59.97 -55.04 39.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -80.47 -16.65 53.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.191 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -66.33 -12.51 57.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 0.0 110.353 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.073 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.3 mm -110.23 -47.08 6.64 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.54 -0.725 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.68 -27.55 4.87 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 11.7 mtm180 -87.2 -32.19 19.93 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.31 -33.41 56.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.073 ' CD1' HG22 ' A' ' 5' ' ' ILE . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 16' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.535 ' HA2' HD13 ' A' ' 16' ' ' ILE . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.51 ' O ' HD13 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 21' ' ' THR . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 5' ' ' ILE . 41.4 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' PHE . 24.7 m-85 -43.54 -65.75 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 110.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -43.9 -44.07 6.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.466 -0.771 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.08 -16.53 7.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.509 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.015 HG22 ' CD1' ' A' ' 9' ' ' ILE . 27.8 mm -101.31 -37.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.014 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.1 m-85 -49.89 -27.53 5.34 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -88.49 -31.57 18.66 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.46 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.712 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.63 -34.06 57.32 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.015 ' CD1' HG22 ' A' ' 5' ' ' ILE . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 8' ' ' GLY . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.0 m80 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 21' ' ' THR . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HG12 ' A' ' 5' ' ' ILE . 6.7 t80 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.354 0.597 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.34 -24.64 67.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.973 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -66.69 -33.6 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -10.3 59.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.343 -0.848 . . . . 0.0 110.681 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.914 HG22 ' CD1' ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -52.74 7.89 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 121.591 -0.693 . . . . 0.0 109.702 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.8 t80 -49.68 -35.37 21.4 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.518 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.63 -30.23 36.71 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.51 -39.29 42.22 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.914 ' CD1' HG22 ' A' ' 5' ' ' ILE . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' HA2' ' A' ' 13' ' ' GLY . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.353 0.597 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.98 -25.41 8.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.147 -0.971 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -60.95 -47.96 84.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -0.949 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' HA ' ' CD ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -66.39 -10.5 44.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 0.0 110.233 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 9' ' ' ILE . 24.8 mm -103.17 -53.47 7.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.541 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.85 -29.91 8.95 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 177.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' A' ' 4' ' ' HIS . 5.8 ptm85 -85.05 -32.45 22.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.51 -34.55 60.16 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.938 ' CD1' HG22 ' A' ' 5' ' ' ILE . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' N ' HG22 ' A' ' 16' ' ' ILE . 47.9 m80 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 5' ' ' ILE . 21.4 p90 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.186 0.517 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' PHE . 43.3 t80 -42.34 -35.5 1.02 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -94.0 -26.26 16.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.14 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -67.78 -10.06 49.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 0.0 110.331 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.008 HG22 ' CD1' ' A' ' 9' ' ' ILE . 32.6 mm -109.48 -48.87 7.1 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.66 -0.65 . . . . 0.0 109.408 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.4 t80 -50.06 -28.89 7.81 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.0 mtm180 -87.08 -30.09 21.4 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -76.15 -34.94 45.1 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.008 ' CD1' HG22 ' A' ' 5' ' ' ILE . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.582 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.7 m80 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' THR . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.238 0.542 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -27.04 64.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 23.3 t60 -97.29 -30.03 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -17.57 8.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -108.85 -45.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -32.33 10.26 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 5.6 mtp-105 -82.8 -32.52 27.64 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -70.05 -36.16 72.17 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.7 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 19' ' ' LEU . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.539 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 5' ' ' ILE . 41.7 m-85 -44.47 -28.38 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.901 . . . . 0.0 110.322 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -61.51 -43.54 98.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 110.18 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -73.99 -8.43 56.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.924 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 9' ' ' ILE . 11.0 mm -85.36 -62.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.694 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -51.43 -34.54 35.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 7.9 mtp180 -83.07 -28.5 29.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.6 -35.79 50.51 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.696 ' O ' HD12 ' A' ' 16' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 21' ' ' THR . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 5' ' ' ILE . 16.5 p90 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.274 0.559 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.35 -62.31 1.32 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -57.92 -33.17 68.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.419 -0.801 . . . . 0.0 110.139 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -56.8 -16.1 5.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.245 -0.909 . . . . 0.0 110.398 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 1' ' ' PHE . 17.0 mm -90.42 -56.58 5.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 C-N-CA 119.811 -0.756 . . . . 0.0 109.072 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -52.43 -38.69 59.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.068 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.44 -27.19 38.01 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.519 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.742 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.39 -37.68 53.63 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PHE . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.778 ' O ' HD12 ' A' ' 16' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.822 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 15' ' ' THR . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.268 0.556 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -59.46 -22.69 61.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 3.4 t60 -89.23 -32.0 17.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -11.23 31.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.905 HG22 ' CD1' ' A' ' 9' ' ' ILE . 29.1 mm -106.99 -49.59 8.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.051 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.34 -34.02 14.85 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 177.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 4.0 mtm105 -80.61 -32.02 36.47 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.738 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -71.62 -40.34 59.16 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 5' ' ' ILE . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 6' ' ' PHE . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' GLY . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' LEU . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.181 0.515 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -44.42 -44.06 8.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.2 m-70 -74.39 -23.12 58.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.443 -0.786 . . . . 0.0 110.035 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -65.79 -10.08 34.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 110.455 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.92 HG22 ' CD1' ' A' ' 9' ' ' ILE . 27.2 mm -103.41 -52.51 8.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -49.11 -37.37 21.48 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 9.6 mtm180 -78.77 -31.18 46.0 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -69.43 -37.98 79.66 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.92 ' CD1' HG22 ' A' ' 5' ' ' ILE . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.651 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 5' ' ' ILE . 69.6 t80 -46.42 -30.32 2.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 58.8 t-80 -59.28 -45.44 91.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -67.71 -8.68 37.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 110.548 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 9' ' ' ILE . 11.2 mm -85.13 -62.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.588 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 5.7 t80 -51.19 -35.53 36.77 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.7 mtp-105 -81.79 -28.42 33.22 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -75.94 -35.56 44.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 1.8 m80 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 21' ' ' THR . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 4' ' ' HIS . 15.7 m-85 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.338 0.589 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -51.01 -28.09 9.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 110.222 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -42.27 94.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 110.121 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -65.6 -10.37 34.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.827 . . . . 0.0 110.254 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 9' ' ' ILE . 31.9 mm -111.44 -49.43 6.26 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.666 0.746 . . . . 0.0 109.198 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -49.46 -34.12 15.98 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.37 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.8 -31.4 25.9 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -69.21 -37.02 80.8 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 5' ' ' ILE . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.507 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.516 ' O ' HG12 ' A' ' 20' ' ' VAL . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 36.3 p90 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 6.2 m-85 -46.78 -24.17 0.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.968 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.4 m-70 -79.3 -32.46 43.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.974 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -10.36 31.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.367 -0.833 . . . . 0.0 110.416 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' GLY . 20.8 mm -97.19 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -49.12 -34.49 14.15 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -30.0 31.18 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.29 -36.18 50.96 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' PHE . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 15.9 m80 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 19' ' ' LEU . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.215 0.531 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -54.29 -31.3 53.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.083 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.6 t-80 -68.63 -28.46 66.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.964 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -12.41 61.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.852 . . . . 0.0 110.538 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.008 HG22 ' CD1' ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -50.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.66 -0.65 . . . . 0.0 109.397 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.7 t80 -48.53 -38.41 20.28 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -76.57 -32.32 58.07 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.432 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -71.2 -39.6 62.27 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.008 ' CD1' HG22 ' A' ' 5' ' ' ILE . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 6' ' ' PHE . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.732 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.732 HD12 ' HA2' ' A' ' 13' ' ' GLY . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.3 m80 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' O ' HG12 ' A' ' 5' ' ' ILE . 28.8 m-85 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.365 0.602 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 65.7 t80 -72.24 -37.61 69.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.935 . . . . 0.0 110.024 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 14.5 m-70 -101.44 -31.04 11.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.855 . . . . 0.0 110.267 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -13.45 55.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.883 . . . . 0.0 110.319 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.024 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -110.48 -47.08 6.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.641 -0.662 . . . . 0.0 109.386 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -49.79 -29.05 7.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.089 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 11.1 mtm105 -87.17 -30.65 20.86 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.768 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.29 -34.96 53.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.024 ' CD1' HG22 ' A' ' 5' ' ' ILE . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 4.2 m80 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' GLY . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.571 HD12 ' HA2' ' A' ' 13' ' ' GLY . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 17.1 t80 -42.12 -39.49 2.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.101 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.9 m-70 -100.91 -25.16 14.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.464 -0.773 . . . . 0.0 109.902 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -12.77 60.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.947 HG22 ' CD1' ' A' ' 9' ' ' ILE . 32.8 mm -110.13 -47.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.55 -28.92 6.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -86.81 -32.05 20.53 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.748 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.08 -34.44 58.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.947 ' CD1' HG22 ' A' ' 5' ' ' ILE . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 8' ' ' GLY . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.657 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' GLY . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.591 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.486 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.631 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' GLY . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 13' ' ' GLY . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.5 m-70 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 19' ' ' LEU . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.671 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.791 ' O ' HD13 ' A' ' 16' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.656 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 12' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.488 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.653 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 16' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.535 ' HA2' HD13 ' A' ' 16' ' ' ILE . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.51 ' O ' HD13 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.8 m-70 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 21' ' ' THR . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.712 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 8' ' ' GLY . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.4 m-70 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 21' ' ' THR . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.642 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' HA2' ' A' ' 13' ' ' GLY . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.694 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' N ' HG22 ' A' ' 16' ' ' ILE . 73.0 m-70 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.65 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.582 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG12 ' A' ' 20' ' ' VAL . 54.8 m-70 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' THR . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.7 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 19' ' ' LEU . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.696 ' O ' HD12 ' A' ' 16' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 21' ' ' THR . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.742 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.778 ' O ' HD12 ' A' ' 16' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.822 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 15' ' ' THR . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.738 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.64 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 11' ' ' HIS . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' GLY . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' LEU . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.651 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 10.6 m170 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 21' ' ' THR . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.684 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.507 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.516 ' O ' HG12 ' A' ' 20' ' ' VAL . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.734 ' O ' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 14.5 m-70 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 19' ' ' LEU . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.677 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.732 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.732 HD12 ' HA2' ' A' ' 13' ' ' GLY . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 69.7 m-70 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.768 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.9 m-70 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' GLY . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.571 HD12 ' HA2' ' A' ' 13' ' ' GLY . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.748 ' O ' HG13 ' A' ' 12' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.637 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 8' ' ' GLY . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 5' ' ' ILE . 46.5 p90 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.327 0.584 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -68.06 -82.79 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.225 -0.922 . . . . 0.0 110.572 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -68.23 -24.17 64.88 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.296 -0.877 . . . . 0.0 110.494 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -62.52 -22.55 66.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.186 -0.946 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.954 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.6 mm -108.24 -41.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.02 0 O-C-N 121.524 -0.735 . . . . 0.0 109.321 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.91 -27.66 5.55 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.4 mtp180 -88.13 -31.22 19.29 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.683 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.68 -36.43 48.31 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.954 ' CD1' HG22 ' A' ' 5' ' ' ILE . 44.4 mt -83.52 -43.07 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.376 -1.073 . . . . 0.0 110.627 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.6 t -54.71 -61.05 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.153 -0.967 . . . . 0.0 109.72 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -62.66 1.43 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.878 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' GLY . 30.5 m -52.28 -45.87 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.402 -0.811 . . . . 0.0 109.542 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.591 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.3 -24.73 63.85 Favored Glycine 0 N--CA 1.486 1.989 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -40.14 26.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.327 -1.102 . . . . 0.0 109.583 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 20.7 m -49.72 -23.37 1.75 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.4 mp -86.23 -55.6 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.173 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 41.1 m80 -45.95 -44.97 15.28 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 120.765 -1.209 . . . . 0.0 109.552 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -48.43 34.66 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.36 -0.936 . . . . 0.0 108.741 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' THR . 5.4 tt -62.31 -16.4 53.81 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.6 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.45 -39.85 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 C-N-CA 119.259 -0.976 . . . . 0.0 110.702 -179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 60.1 m -59.19 -13.42 7.38 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 5' ' ' ILE . 50.8 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.137 0.494 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.517 ' CE1' ' CE2' ' A' ' 6' ' ' PHE . 79.4 t80 -45.95 -25.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.235 -0.916 . . . . 0.0 110.184 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.73 -37.36 7.93 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.0 110.139 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.533 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.2 -12.94 31.99 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.349 -0.844 . . . . 0.0 110.415 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.836 HG22 ' CD1' ' A' ' 9' ' ' ILE . 33.6 mm -110.19 -47.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-O 121.542 0.687 . . . . 0.0 109.399 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.1 -27.58 3.53 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 178.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -88.51 -32.67 18.09 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.68 -34.48 59.67 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.836 ' CD1' HG22 ' A' ' 5' ' ' ILE . 56.0 mt -85.5 -43.26 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.164 -1.197 . . . . 0.0 110.064 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 7.1 t -56.66 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.175 -0.953 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 3.7 m-70 -73.08 -55.09 6.97 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.134 -0.979 . . . . 0.0 110.087 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 30.0 m -51.7 -38.44 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.349 -0.844 . . . . 0.0 109.131 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.43 -28.97 73.84 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.429 -1.869 . . . . 0.0 108.429 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 5.4 ttmm -76.57 -37.71 56.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.431 -1.04 . . . . 0.0 109.352 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 52.8 m -51.82 -22.05 3.36 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.333 -0.854 . . . . 0.0 109.039 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 20' ' ' VAL . 30.1 mt -85.82 -51.69 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.494 -0.754 . . . . 0.0 109.97 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' O ' HG12 ' A' ' 20' ' ' VAL . 24.8 m170 -48.55 -43.95 36.0 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.569 -1.332 . . . . 0.0 109.179 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.3 ttp-105 -75.06 -45.65 40.1 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 4.8 tt -62.88 -16.97 60.87 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.94 -39.28 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.736 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 48.7 m -66.45 -7.2 18.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.229 -0.92 . . . . 0.0 110.066 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.98 -1.456 . . . . 0.0 109.568 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.202 0.525 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -70.9 0.09 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -19.33 15.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.321 -0.862 . . . . 0.0 109.817 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -64.59 -10.77 28.57 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.365 -0.834 . . . . 0.0 110.239 179.676 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.716 HG22 HD13 ' A' ' 9' ' ' ILE . 30.6 mm -108.21 -42.43 5.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 O-C-N 121.609 -0.682 . . . . 0.0 109.418 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.527 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -27.12 3.38 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 178.214 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 11' ' ' HIS . 0.8 OUTLIER -91.59 -29.66 16.8 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.51 -34.63 53.7 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 HG22 ' A' ' 5' ' ' ILE . 1.4 mp -85.98 -41.75 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.234 -1.156 . . . . 0.0 110.037 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 33.6 t -63.36 -31.31 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 110.105 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 14' ' ' LYS . 7.1 m-70 -80.49 -52.8 7.21 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.263 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.761 HG13 ' O ' ' A' ' 8' ' ' GLY . 17.7 m -46.36 -38.93 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.469 -0.769 . . . . 0.0 109.735 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.638 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -67.96 -32.55 77.42 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 108.914 -1.674 . . . . 0.0 108.914 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -74.71 -37.14 62.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.376 -1.073 . . . . 0.0 109.683 179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 51.0 m -56.38 -18.58 11.43 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.389 -0.819 . . . . 0.0 109.185 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' HA2' ' A' ' 13' ' ' GLY . 58.3 mt -85.94 -45.52 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.47 -0.769 . . . . 0.0 110.162 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.5 m-70 -47.07 -52.1 15.98 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.709 -1.244 . . . . 0.0 109.802 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -70.76 -44.46 66.69 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.022 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD23 ' C ' ' A' ' 19' ' ' LEU . 1.4 tt -63.0 -17.46 62.22 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.441 -0.904 . . . . 0.0 108.701 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.75 -39.57 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.861 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.428 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 19.7 m -73.83 0.96 11.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.279 -0.888 . . . . 0.0 110.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.215 0.531 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -49.62 -30.5 8.98 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.295 -0.878 . . . . 0.0 110.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -47.68 65.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.774 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.46 ' CD2' ' NH2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -70.54 -8.89 54.77 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.458 -0.777 . . . . 0.0 110.517 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.93 HG22 ' CD1' ' A' ' 9' ' ' ILE . 23.8 mm -102.67 -52.5 8.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.113 0 O-C-N 121.634 -0.666 . . . . 0.0 109.611 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -49.12 -31.46 8.18 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' NH2' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER -86.37 -29.49 22.89 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.627 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.77 -35.38 54.86 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.93 ' CD1' HG22 ' A' ' 5' ' ' ILE . 25.9 mt -85.9 -41.57 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.254 -1.145 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 17.4 t -59.73 -34.28 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.019 -1.051 . . . . 0.0 110.219 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -77.51 -53.31 7.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.791 ' O ' HD13 ' A' ' 16' ' ' ILE . 28.7 m -50.51 -28.32 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.825 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.94 -28.82 53.62 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -85.04 -44.43 13.04 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.159 -1.2 . . . . 0.0 109.969 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.656 ' O ' HD23 ' A' ' 19' ' ' LEU . 16.8 m -58.97 -15.59 13.77 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.59 -0.844 . . . . 0.0 109.084 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.791 HD13 ' O ' ' A' ' 12' ' ' VAL . 1.2 mp -86.09 -47.08 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.413 -0.804 . . . . 0.0 109.72 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.488 ' O ' HG12 ' A' ' 20' ' ' VAL . 11.5 m170 -45.91 -47.0 16.33 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 120.7 -1.25 . . . . 0.0 109.559 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -44.42 62.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.236 -0.915 . . . . 0.0 108.993 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -65.5 -16.06 63.29 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.77 -38.86 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.791 -179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 21' ' ' THR . 53.8 m -67.62 -5.15 14.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.199 -0.938 . . . . 0.0 110.338 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.602 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 4' ' ' HIS . 7.1 p90 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.336 0.588 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -59.97 -55.04 39.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.112 -0.993 . . . . 0.0 110.222 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -80.47 -16.65 53.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.42 -0.8 . . . . 0.0 110.191 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -66.33 -12.51 57.09 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.196 -0.94 . . . . 0.0 110.353 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.073 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.3 mm -110.23 -47.08 6.64 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.54 -0.725 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.68 -27.55 4.87 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 177.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 11.7 mtm180 -87.2 -32.19 19.93 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.548 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.31 -33.41 56.62 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.073 ' CD1' HG22 ' A' ' 5' ' ' ILE . 29.2 mt -85.75 -39.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.348 -1.089 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 5.3 t -60.48 -41.55 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.961 -1.087 . . . . 0.0 109.984 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.514 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 38.0 m170 -70.11 -54.75 11.63 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.683 ' O ' HD12 ' A' ' 16' ' ' ILE . 25.1 m -48.64 -38.35 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.863 . . . . 0.0 109.362 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.535 ' HA2' HD13 ' A' ' 16' ' ' ILE . . . -59.06 -30.83 67.49 Favored Glycine 0 N--CA 1.487 2.073 0 N-CA-C 108.631 -1.788 . . . . 0.0 108.631 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.8 tmmm? -72.23 -37.14 69.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.454 -1.027 . . . . 0.0 109.358 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.51 ' O ' HD13 ' A' ' 19' ' ' LEU . 54.2 m -51.51 -22.41 3.15 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 108.825 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.683 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -85.72 -38.9 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.525 -0.734 . . . . 0.0 109.978 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.8 m-70 -45.57 -43.88 12.43 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.844 -1.16 . . . . 0.0 109.773 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -74.52 -47.04 35.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.151 -0.968 . . . . 0.0 108.825 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 19' ' ' LEU . 5.9 mp -63.94 -16.23 61.01 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.8 -37.74 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.645 -179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 21' ' ' THR . 65.2 m -70.76 -2.67 15.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.241 -0.912 . . . . 0.0 110.236 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.493 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 5' ' ' ILE . 41.4 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.258 0.552 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' PHE . 24.7 m-85 -43.54 -65.75 0.46 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 110.118 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -43.9 -44.07 6.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.466 -0.771 . . . . 0.0 110.401 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.08 -16.53 7.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.396 -0.815 . . . . 0.0 110.509 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.015 HG22 ' CD1' ' A' ' 9' ' ' ILE . 27.8 mm -101.31 -37.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.014 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.1 m-85 -49.89 -27.53 5.34 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -88.49 -31.57 18.66 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.46 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.712 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.63 -34.06 57.32 Favored Glycine 0 N--CA 1.488 2.131 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.015 ' CD1' HG22 ' A' ' 5' ' ' ILE . 26.2 mt -85.7 -42.59 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.258 -1.143 . . . . 0.0 110.064 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 25.5 t -61.81 -31.69 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.459 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 11.2 m-70 -78.72 -53.52 7.06 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.303 -0.873 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 8' ' ' GLY . 24.5 m -49.53 -39.07 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.396 -0.815 . . . . 0.0 109.573 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.89 -26.65 72.29 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 2.4 ttpt -79.64 -41.39 27.08 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.455 -1.027 . . . . 0.0 109.393 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 m -48.95 -24.44 1.5 Allowed 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.404 -0.918 . . . . 0.0 108.798 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.1 mt -86.14 -57.31 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.542 -0.724 . . . . 0.0 109.86 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.4 m-70 -44.21 -40.0 4.8 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.98 -1.075 . . . . 0.0 109.579 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -50.61 16.33 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.754 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -63.48 -15.05 56.67 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.253 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -102.72 -37.36 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.727 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 21' ' ' THR . 59.5 m -72.95 -0.77 14.61 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.498 ' O ' HG12 ' A' ' 5' ' ' ILE . 6.7 t80 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.354 0.597 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -62.34 -24.64 67.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.144 -0.973 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -66.69 -33.6 76.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -10.3 59.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.343 -0.848 . . . . 0.0 110.681 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.914 HG22 ' CD1' ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -52.74 7.89 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 O-C-N 121.591 -0.693 . . . . 0.0 109.702 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 10' ' ' VAL . 5.8 t80 -49.68 -35.37 21.4 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.518 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.63 -30.23 36.71 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 177.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.687 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.51 -39.29 42.22 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.914 ' CD1' HG22 ' A' ' 5' ' ' ILE . 23.0 mt -81.41 -39.88 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.435 -1.039 . . . . 0.0 110.545 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.9 t -56.32 -64.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.203 -0.935 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -48.26 -61.89 1.76 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.133 -0.979 . . . . 0.0 110.239 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.3 m -50.32 -40.39 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.375 -0.828 . . . . 0.0 109.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -68.12 -23.92 74.63 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -80.47 -41.75 23.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.212 -1.17 . . . . 0.0 110.121 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.1 m -60.41 -14.49 19.27 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.358 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 ' HA2' ' A' ' 13' ' ' GLY . 96.7 mt -86.09 -59.3 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.438 -0.789 . . . . 0.0 110.415 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' O ' HG12 ' A' ' 20' ' ' VAL . 33.6 m80 -42.1 -45.38 3.95 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.86 -1.15 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -73.44 -48.86 30.35 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 tt -64.66 -14.74 59.5 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.74 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.593 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.02 -37.51 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.365 -0.934 . . . . 0.0 110.665 -179.575 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' HIS . 23.7 m -64.86 -8.52 15.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.941 . . . . 0.0 110.231 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.494 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.353 0.597 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -51.98 -25.41 8.26 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.147 -0.971 . . . . 0.0 110.226 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -60.95 -47.96 84.02 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.181 -0.949 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' HA ' ' CD ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -66.39 -10.5 44.16 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.289 -0.882 . . . . 0.0 110.233 179.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 9' ' ' ILE . 24.8 mm -103.17 -53.47 7.32 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.021 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.541 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.85 -29.91 8.95 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 177.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' A' ' 4' ' ' HIS . 5.8 ptm85 -85.05 -32.45 22.87 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -72.51 -34.55 60.16 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.938 ' CD1' HG22 ' A' ' 5' ' ' ILE . 12.3 mt -85.67 -41.56 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.365 -1.079 . . . . 0.0 110.268 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.541 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 6.1 t -57.31 -41.7 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.1 -1.0 . . . . 0.0 109.946 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -67.54 -57.06 7.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.165 -0.959 . . . . 0.0 109.919 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.5 m -52.8 -38.75 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.443 -0.786 . . . . 0.0 109.473 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.501 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -71.68 -25.65 74.62 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -75.44 -39.76 58.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -1.163 . . . . 0.0 109.482 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -62.63 -13.06 27.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.334 -0.854 . . . . 0.0 109.018 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.586 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER -84.7 -62.1 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.518 -0.739 . . . . 0.0 109.775 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' N ' HG22 ' A' ' 16' ' ' ILE . 73.0 m-70 -39.66 -42.0 1.15 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.182 -0.949 . . . . 0.0 110.36 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -75.85 -48.75 20.22 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.634 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.27 -15.24 59.77 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.13 -37.07 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.313 -0.867 . . . . 0.0 110.561 -179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' HIS . 7.8 m -62.45 -10.79 12.72 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.152 -0.967 . . . . 0.0 110.152 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.489 ' O ' HG12 ' A' ' 5' ' ' ILE . 21.4 p90 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.186 0.517 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' PHE . 43.3 t80 -42.34 -35.5 1.02 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -94.0 -26.26 16.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 110.14 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' HB2' ' HA ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -67.78 -10.06 49.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.235 -0.915 . . . . 0.0 110.331 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.008 HG22 ' CD1' ' A' ' 9' ' ' ILE . 32.6 mm -109.48 -48.87 7.1 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 O-C-N 121.66 -0.65 . . . . 0.0 109.408 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 1.4 t80 -50.06 -28.89 7.81 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 12.0 mtm180 -87.08 -30.09 21.4 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -76.15 -34.94 45.1 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.008 ' CD1' HG22 ' A' ' 5' ' ' ILE . 29.0 mt -84.61 -40.95 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.24 -1.153 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 9.0 t -58.14 -57.28 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.117 -0.99 . . . . 0.0 109.557 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -50.92 -62.88 1.34 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.555 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 8' ' ' GLY . 24.6 m -51.13 -45.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.089 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.582 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.18 -27.65 67.78 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.111 -1.595 . . . . 0.0 109.111 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 7.3 tppt? -75.8 -37.03 59.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -1.173 . . . . 0.0 109.613 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HD23 ' A' ' 19' ' ' LEU . 17.8 m -54.93 -20.02 8.01 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.235 -0.916 . . . . 0.0 109.095 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 20' ' ' VAL . 2.4 mp -85.86 -48.13 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.481 -0.762 . . . . 0.0 110.151 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.513 ' O ' HG12 ' A' ' 20' ' ' VAL . 54.8 m-70 -42.79 -39.71 2.58 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -75.15 -51.11 14.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -0.982 . . . . 0.0 108.807 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.2 mm? -63.03 -15.81 57.71 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -101.2 -37.83 5.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.848 -179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 21' ' ' THR . 90.3 m -75.32 2.27 11.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.15 -0.969 . . . . 0.0 110.363 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.581 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.238 0.542 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -27.04 64.17 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 23.3 t60 -97.29 -30.03 13.2 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -17.57 8.79 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.325 -0.859 . . . . 0.0 110.3 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -108.85 -45.43 6.83 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.21 -32.33 10.26 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 5.6 mtp-105 -82.8 -32.52 27.64 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -70.05 -36.16 72.17 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.929 -1.669 . . . . 0.0 108.929 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.7 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 53.4 mt -85.49 -42.94 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.329 -1.101 . . . . 0.0 110.172 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.7 t -54.66 -43.13 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.023 -1.048 . . . . 0.0 109.834 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -66.22 -57.45 7.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 110.043 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.7 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 28.3 m -52.83 -35.85 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.431 -0.793 . . . . 0.0 109.189 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -63.15 -22.68 65.35 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -39.95 68.5 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.117 . . . . 0.0 109.611 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 89.2 m -63.33 -12.56 30.86 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.741 -0.784 . . . . 0.0 109.204 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.8 mm -85.28 -47.2 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.327 -0.858 . . . . 0.0 109.829 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' VAL . 35.9 m170 -50.18 -46.98 54.76 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.664 -1.273 . . . . 0.0 109.212 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.02 -45.09 51.88 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.455 -0.898 . . . . 0.0 108.622 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 19' ' ' LEU . 8.3 tt -62.76 -17.11 60.47 Favored 'General case' 0 C--N 1.3 -1.566 0 C-N-CA 119.351 -0.94 . . . . 0.0 108.556 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -106.37 -38.48 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 C-N-CA 119.067 -1.053 . . . . 0.0 110.583 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.419 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 15.1 m -53.97 -17.36 2.5 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.394 -0.816 . . . . 0.0 110.143 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.233 0.539 . . . . 0.0 110.145 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HA ' ' CG1' ' A' ' 5' ' ' ILE . 41.7 m-85 -44.47 -28.38 0.56 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.901 . . . . 0.0 110.322 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -61.51 -43.54 98.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.32 -0.862 . . . . 0.0 110.18 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -73.99 -8.43 56.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.418 -0.801 . . . . 0.0 110.924 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.559 HG22 HD12 ' A' ' 9' ' ' ILE . 11.0 mm -85.36 -62.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.694 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 2.2 t80 -51.43 -34.54 35.38 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 7.9 mtp180 -83.07 -28.5 29.5 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.6 -35.79 50.51 Favored Glycine 0 N--CA 1.488 2.132 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 25.2 mt -85.85 -40.88 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -1.064 . . . . 0.0 110.144 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 15.3 t -59.19 -47.99 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.034 -1.041 . . . . 0.0 109.804 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 9.7 m-70 -61.65 -58.26 8.75 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.196 -0.94 . . . . 0.0 110.039 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.696 ' O ' HD12 ' A' ' 16' ' ' ILE . 27.3 m -51.39 -38.54 20.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.174 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -64.87 -25.71 70.8 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.5 tppt? -73.45 -42.16 62.31 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.264 . . . . 0.0 109.69 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HD23 ' A' ' 19' ' ' LEU . 14.9 m -57.19 -17.87 13.21 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.103 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.1 mp -86.23 -48.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.418 -0.801 . . . . 0.0 110.089 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.496 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -43.37 -41.28 4.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 120.915 -1.115 . . . . 0.0 109.944 179.708 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -50.4 18.2 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.198 -0.939 . . . . 0.0 108.762 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 15' ' ' THR . 3.8 mm? -63.76 -14.91 56.68 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.11 -36.88 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 C-N-CA 119.458 -0.897 . . . . 0.0 110.603 -179.694 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 21' ' ' THR . 16.0 m -66.95 -6.79 18.16 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.242 -0.911 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.579 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 5' ' ' ILE . 16.5 p90 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.274 0.559 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.35 -62.31 1.32 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.137 -0.977 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -57.92 -33.17 68.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.419 -0.801 . . . . 0.0 110.139 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -56.8 -16.1 5.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.245 -0.909 . . . . 0.0 110.398 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 1' ' ' PHE . 17.0 mm -90.42 -56.58 5.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.151 0 C-N-CA 119.811 -0.756 . . . . 0.0 109.072 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -52.43 -38.69 59.77 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 178.068 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.44 -27.19 38.01 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.742 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.39 -37.68 53.63 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.649 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 1.4 mp -85.59 -40.31 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.381 -1.07 . . . . 0.0 109.757 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PHE . 28.8 t -61.96 -33.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.101 -1.0 . . . . 0.0 110.126 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 1.9 m-70 -79.86 -51.99 8.44 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.142 -0.974 . . . . 0.0 110.441 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.778 ' O ' HD12 ' A' ' 16' ' ' ILE . 21.2 m -46.84 -35.89 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.902 . . . . 0.0 109.342 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -67.76 -35.51 85.53 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 108.603 -1.799 . . . . 0.0 108.603 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' HIS . 1.1 tppt? -73.81 -37.82 64.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.492 -1.005 . . . . 0.0 109.384 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.822 ' O ' HD23 ' A' ' 19' ' ' LEU . 97.9 m -53.4 -20.65 4.8 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.702 -0.799 . . . . 0.0 109.058 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 12' ' ' VAL . 3.0 mt -85.66 -41.1 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.567 -0.708 . . . . 0.0 109.907 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' O ' HG12 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -47.96 -46.32 32.3 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.661 -1.274 . . . . 0.0 109.529 179.343 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -74.19 -43.34 57.61 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.181 -0.949 . . . . 0.0 108.756 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 15' ' ' THR . 3.5 mm? -64.61 -17.09 63.68 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.37 -39.45 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.469 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 32.5 m -57.97 -14.5 6.53 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 110.036 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.924 -1.486 . . . . 0.0 109.594 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.435 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.268 0.556 . . . . 0.0 110.246 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -59.46 -22.69 61.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 110.315 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 3.4 t60 -89.23 -32.0 17.63 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 110.147 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -11.23 31.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.329 -0.857 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.905 HG22 ' CD1' ' A' ' 9' ' ' ILE . 29.1 mm -106.99 -49.59 8.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.051 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -49.34 -34.02 14.85 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 177.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 4.0 mtm105 -80.61 -32.02 36.47 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.738 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -71.62 -40.34 59.16 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.905 ' CD1' HG22 ' A' ' 5' ' ' ILE . 22.3 mt -80.28 -39.46 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.493 -1.004 . . . . 0.0 110.291 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 6' ' ' PHE . 4.7 t -57.24 -65.4 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.034 . . . . 0.0 109.636 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' LYS . 2.0 m-70 -44.58 -64.96 0.58 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.942 . . . . 0.0 109.822 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' GLY . 17.9 m -48.37 -40.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.419 -0.8 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -52.96 -27.67 30.35 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -74.81 -34.8 62.42 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.356 -1.085 . . . . 0.0 109.314 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 51.5 m -52.41 -22.43 4.68 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.381 -0.824 . . . . 0.0 108.956 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.55 ' HA ' ' HB3' ' A' ' 19' ' ' LEU . 3.5 mp -85.5 -50.54 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.58 -0.7 . . . . 0.0 109.942 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' O ' HG12 ' A' ' 20' ' ' VAL . 6.2 m-70 -46.47 -51.98 14.14 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.752 -1.218 . . . . 0.0 109.456 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -46.83 62.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.049 -1.032 . . . . 0.0 108.688 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 3.3 tt -57.05 -21.62 32.69 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -98.83 -48.38 12.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 C-N-CA 119.088 -1.045 . . . . 0.0 110.106 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.53 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 1.2 m -69.5 -4.16 17.66 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.477 -0.764 . . . . 0.0 109.523 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 4' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.181 0.515 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -44.42 -44.06 8.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 110.079 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.2 m-70 -74.39 -23.12 58.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.443 -0.786 . . . . 0.0 110.035 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -65.79 -10.08 34.25 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.25 -0.906 . . . . 0.0 110.455 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.92 HG22 ' CD1' ' A' ' 9' ' ' ILE . 27.2 mm -103.41 -52.51 8.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -49.11 -37.37 21.48 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 9.6 mtm180 -78.77 -31.18 46.0 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.526 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -69.43 -37.98 79.66 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 108.761 -1.735 . . . . 0.0 108.761 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.92 ' CD1' HG22 ' A' ' 5' ' ' ILE . 6.1 mt -85.65 -39.59 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.5 -1.0 . . . . 0.0 110.262 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.49 -40.18 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 110.036 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 1.8 m-70 -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 110.184 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.651 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 22.3 m -48.66 -38.52 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.38 -0.825 . . . . 0.0 109.541 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -61.49 -23.1 62.22 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 108.918 -1.673 . . . . 0.0 108.918 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 21.6 ttmt -76.78 -39.56 51.18 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -1.101 . . . . 0.0 109.737 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 40.0 m -54.78 -19.62 6.77 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 108.992 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 1.9 mp -85.6 -42.56 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.553 -0.717 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' O ' HG12 ' A' ' 20' ' ' VAL . 9.0 m-70 -46.95 -47.27 21.81 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.634 -1.291 . . . . 0.0 109.491 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -45.89 57.14 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.229 -0.92 . . . . 0.0 108.733 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -62.71 -17.09 60.1 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 119.399 -0.92 . . . . 0.0 108.554 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.48 -39.65 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.813 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.9 m -62.69 -9.92 10.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.201 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.991 -1.45 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.31 0.576 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 5' ' ' ILE . 69.6 t80 -46.42 -30.32 2.1 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 58.8 t-80 -59.28 -45.44 91.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -67.71 -8.68 37.31 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -0.822 . . . . 0.0 110.548 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 9' ' ' ILE . 11.2 mm -85.13 -62.35 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.245 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.588 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 5.7 t80 -51.19 -35.53 36.77 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 1.7 mtp-105 -81.79 -28.42 33.22 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.579 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -75.94 -35.56 44.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.189 -1.565 . . . . 0.0 109.189 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 30.9 mt -85.63 -40.55 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -1.121 . . . . 0.0 110.244 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 32.4 t -62.57 -35.3 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.0 109.977 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' LYS . 3.5 m-70 -74.62 -54.74 6.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.213 -0.93 . . . . 0.0 109.989 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.641 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 19.7 m -48.63 -40.25 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.404 -0.81 . . . . 0.0 109.473 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -65.03 -29.08 74.46 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -79.96 -39.36 30.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.413 -1.051 . . . . 0.0 109.415 179.461 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 71.4 m -47.89 -25.24 1.25 Allowed 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.587 -0.845 . . . . 0.0 108.86 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.8 mt -86.23 -47.47 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.491 -0.756 . . . . 0.0 109.818 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 10.6 m170 -47.84 -44.95 29.49 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.704 -1.248 . . . . 0.0 109.24 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -45.67 46.49 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.41 -0.916 . . . . 0.0 108.546 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.031 HD13 ' O ' ' A' ' 19' ' ' LEU . 3.4 tm? -62.53 -17.5 60.0 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -104.35 -38.91 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 C-N-CA 119.226 -0.99 . . . . 0.0 110.647 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 21' ' ' THR . 62.4 m -70.11 -3.37 16.31 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 CA-C-O 118.007 -1.441 . . . . 0.0 109.547 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 4' ' ' HIS . 15.7 m-85 . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.338 0.589 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -51.01 -28.09 9.23 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 110.222 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -42.27 94.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.312 -0.868 . . . . 0.0 110.121 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.468 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -65.6 -10.37 34.96 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.376 -0.827 . . . . 0.0 110.254 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.692 HG22 ' CD1' ' A' ' 9' ' ' ILE . 31.9 mm -111.44 -49.43 6.26 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 CA-C-O 121.666 0.746 . . . . 0.0 109.198 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' HG23 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -49.46 -34.12 15.98 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.37 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.8 -31.4 25.9 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -69.21 -37.02 80.8 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.692 ' CD1' HG22 ' A' ' 5' ' ' ILE . 43.0 mt -85.69 -42.87 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.3 -1.118 . . . . 0.0 110.227 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 6' ' ' PHE . 12.3 t -56.84 -42.59 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.231 -0.918 . . . . 0.0 110.199 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -67.09 -57.66 6.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.069 -1.019 . . . . 0.0 109.853 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 27.5 m -51.31 -41.78 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.455 -0.778 . . . . 0.0 109.391 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.507 ' N ' HG23 ' A' ' 12' ' ' VAL . . . -59.05 -25.15 59.32 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.425 -1.87 . . . . 0.0 108.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -40.2 40.92 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.397 -1.06 . . . . 0.0 109.614 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.0 m -48.42 -24.23 1.19 Allowed 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.879 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 12' ' ' VAL . 1.6 mp -86.12 -39.07 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.512 -0.742 . . . . 0.0 110.226 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.516 ' O ' HG12 ' A' ' 20' ' ' VAL . 8.7 m170 -46.28 -42.96 15.26 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.688 -1.257 . . . . 0.0 109.562 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -50.0 20.83 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.152 -0.968 . . . . 0.0 108.557 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.734 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -60.71 -17.0 45.54 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.521 178.441 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.5 -37.77 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 C-N-CA 119.211 -0.996 . . . . 0.0 110.586 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 17' ' ' HIS . 25.1 m -63.14 -10.1 13.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 110.21 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.982 -1.454 . . . . 0.0 109.519 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 36.3 p90 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.213 0.53 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.521 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 6.2 m-85 -46.78 -24.17 0.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.247 -0.908 . . . . 0.0 109.968 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.4 m-70 -79.3 -32.46 43.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.329 -0.857 . . . . 0.0 109.974 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -10.36 31.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.367 -0.833 . . . . 0.0 110.416 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 8' ' ' GLY . 20.8 mm -97.19 -56.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.4 m-85 -49.12 -34.49 14.15 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 178.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -82.18 -30.0 31.18 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.665 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.606 ' O ' HG22 ' A' ' 12' ' ' VAL . . . -74.29 -36.18 50.96 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.63 ' N ' HD12 ' A' ' 9' ' ' ILE . 1.6 mp -85.83 -40.27 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.372 -1.075 . . . . 0.0 110.377 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 6' ' ' PHE . 24.1 t -60.75 -54.78 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.058 -1.026 . . . . 0.0 109.987 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 14.5 m-70 -55.59 -60.45 3.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.158 -0.964 . . . . 0.0 110.021 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.623 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 20.6 m -47.78 -38.32 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.312 -0.868 . . . . 0.0 109.311 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -56.12 -27.55 52.08 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 108.735 -1.746 . . . . 0.0 108.735 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 11' ' ' HIS . 3.6 tmmm? -69.68 -37.06 76.51 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -1.068 . . . . 0.0 109.501 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 81.8 m -59.82 -15.31 19.83 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.458 -0.776 . . . . 0.0 109.316 179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 20' ' ' VAL . 93.8 mt -85.87 -56.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.469 -0.769 . . . . 0.0 110.543 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' O ' HG12 ' A' ' 20' ' ' VAL . 21.9 m170 -42.92 -47.83 5.75 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.858 -1.151 . . . . 0.0 109.936 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -49.3 49.85 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 119.167 -1.013 . . . . 0.0 108.918 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 19' ' ' LEU . 9.0 tt -62.2 -16.49 53.57 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.397 -0.921 . . . . 0.0 108.809 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -99.46 -45.28 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.651 -179.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -45.52 -25.48 0.45 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 109.195 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 20' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.023 -1.432 . . . . 0.0 109.582 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.215 0.531 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -54.29 -31.3 53.57 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.174 -0.954 . . . . 0.0 110.083 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.9 t-160 -68.63 -28.46 66.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.326 -0.859 . . . . 0.0 109.964 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -12.41 61.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.336 -0.852 . . . . 0.0 110.538 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.008 HG22 ' CD1' ' A' ' 9' ' ' ILE . 26.7 mm -103.16 -50.69 9.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.077 0 O-C-N 121.66 -0.65 . . . . 0.0 109.397 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 10' ' ' VAL . 11.7 t80 -48.53 -38.41 20.28 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' O ' ' ND1' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -76.57 -32.32 58.07 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 177.432 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 5' ' ' ILE . . . -71.2 -39.6 62.27 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.087 -1.605 . . . . 0.0 109.087 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.008 ' CD1' HG22 ' A' ' 5' ' ' ILE . 8.2 mt -82.97 -37.21 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.435 -1.038 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 6' ' ' PHE . 4.5 t -57.39 -57.75 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 110.018 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 7' ' ' ARG . 30.2 m170 -54.93 -58.89 5.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.185 -0.947 . . . . 0.0 110.202 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 33.4 m -51.57 -34.24 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.301 -0.874 . . . . 0.0 109.567 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.732 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -72.52 -26.82 70.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -40.83 32.0 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -1.193 . . . . 0.0 109.839 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.8 m -59.77 -15.24 18.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.385 -0.822 . . . . 0.0 109.283 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.732 HD12 ' HA2' ' A' ' 13' ' ' GLY . 30.6 mt -85.51 -49.53 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.396 -0.815 . . . . 0.0 110.061 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 20' ' ' VAL . 69.7 m-70 -45.26 -43.85 10.78 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 120.772 -1.205 . . . . 0.0 109.664 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -73.74 -48.2 33.63 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 119.274 -0.971 . . . . 0.0 108.808 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.9 -15.44 59.04 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.624 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -103.94 -37.69 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.568 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -62.1 -11.01 11.81 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 110.203 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.56 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' O ' HG12 ' A' ' 5' ' ' ILE . 28.8 m-85 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.365 0.602 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 65.7 t80 -72.24 -37.61 69.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.203 -0.935 . . . . 0.0 110.024 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 14.5 m-70 -101.44 -31.04 11.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.333 -0.855 . . . . 0.0 110.267 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -13.45 55.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.883 . . . . 0.0 110.319 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.024 HG22 ' CD1' ' A' ' 9' ' ' ILE . 34.5 mm -110.48 -47.08 6.53 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.023 0 O-C-N 121.641 -0.662 . . . . 0.0 109.386 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -49.79 -29.05 7.11 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 106.965 -1.494 . . . . 0.0 106.965 178.089 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 11.1 mtm105 -87.17 -30.65 20.86 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 177.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.768 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -74.29 -34.96 53.81 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.024 ' CD1' HG22 ' A' ' 5' ' ' ILE . 24.0 mt -85.79 -40.19 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.226 -1.161 . . . . 0.0 110.379 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 21.8 t -62.31 -35.63 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.962 -1.086 . . . . 0.0 109.941 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.9 m-70 -75.5 -55.24 5.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 110.14 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 8' ' ' GLY . 29.2 m -46.14 -27.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 109.504 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.571 ' HA2' HD12 ' A' ' 16' ' ' ILE . . . -74.69 -32.57 57.13 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' CG ' ' N ' ' A' ' 15' ' ' THR . 2.0 ptpt -77.93 -47.22 19.13 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.986 -1.303 . . . . 0.0 110.071 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 20.6 m -53.38 -18.92 2.92 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.367 -0.933 . . . . 0.0 109.393 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.571 HD12 ' HA2' ' A' ' 13' ' ' GLY . 64.9 mt -85.57 -47.78 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 110.011 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 50.2 m-70 -47.91 -47.25 32.28 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 120.702 -1.249 . . . . 0.0 109.515 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -44.56 57.34 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.382 -0.927 . . . . 0.0 108.813 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 2.4 tt -64.12 -16.53 62.02 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.355 -0.938 . . . . 0.0 108.611 178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.7 -38.54 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.515 -179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 53.6 m -63.79 -9.47 14.81 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 110.16 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.581 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 17.1 t80 -42.12 -39.49 2.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.252 -0.905 . . . . 0.0 110.101 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 1.9 m-70 -100.91 -25.16 14.18 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.464 -0.773 . . . . 0.0 109.902 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -12.77 60.71 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.289 -0.882 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.947 HG22 ' CD1' ' A' ' 9' ' ' ILE . 32.8 mm -110.13 -47.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.483 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -49.55 -28.92 6.13 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -86.81 -32.05 20.53 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.417 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.748 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -73.08 -34.44 58.45 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.947 ' CD1' HG22 ' A' ' 5' ' ' ILE . 34.9 mt -85.89 -41.35 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.385 -1.068 . . . . 0.0 110.129 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 6' ' ' PHE . 23.4 t -62.08 -39.21 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 11.6 m-70 -70.3 -55.55 8.91 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.263 -0.898 . . . . 0.0 110.161 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 8' ' ' GLY . 27.5 m -48.61 -34.58 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.317 -0.864 . . . . 0.0 109.315 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.552 ' O ' ' CG1' ' A' ' 16' ' ' ILE . . . -63.75 -24.47 68.17 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.901 -1.68 . . . . 0.0 108.901 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -85.77 -41.56 14.97 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.105 -1.232 . . . . 0.0 109.857 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 12.1 m -47.57 -26.56 1.49 Allowed 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.345 -0.847 . . . . 0.0 109.378 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' VAL . 15.1 pt -87.69 -39.0 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.34 -0.85 . . . . 0.0 110.398 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.6 m170 -47.17 -50.12 21.24 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.597 -1.314 . . . . 0.0 109.487 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -71.9 -44.07 64.3 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.247 -0.908 . . . . 0.0 108.897 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -63.17 -17.04 61.95 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.618 178.413 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -105.88 -40.01 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 C-N-CA 119.235 -0.986 . . . . 0.0 110.677 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 6.4 m -62.24 -10.02 9.58 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 110.32 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.372 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.973 . . . . . . . . 0 0 . 1 stop_ save_