data_6c41_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 6c41 _Structure_validation_residue.Date_analyzed 2018-02-02 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.595 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 4' ' ' PHE . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' HA2' HG22 ' A' ' 16' ' ' VAL . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 . . . . . 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.427 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t-160 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 7.6 m-30 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.581 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.482 ' CE1' ' HZ1' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.485 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.624 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 16' ' ' VAL . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 2.5 m-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.898 0.38 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.559 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.412 ' CE1' ' NZ ' ' A' ' 7' ' ' LYS . 8.8 m170 -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.479 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.479 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.517 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' HA ' HG23 ' A' ' 12' ' ' VAL . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.454 ' H ' HG13 ' A' ' 9' ' ' ILE . 19.5 t-160 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.092 -0.706 . . . . 0.0 109.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -55.93 -33.49 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.612 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -49.95 -39.83 41.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 -61.78 -45.13 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.595 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -53.59 -48.28 69.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -56.22 -33.69 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.036 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.73 -26.98 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.74 0.305 . . . . 0.0 110.575 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 -83.07 -62.27 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 2' ' ' PHE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 4' ' ' PHE . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' HA2' HG22 ' A' ' 16' ' ' VAL . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -89.03 18.32 5.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.093 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -55.74 -41.7 74.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.732 0.301 . . . . 0.0 111.083 -179.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -50.96 -27.29 7.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.05 0.452 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -77.06 -61.47 1.97 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.306 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' PHE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' ASN . 23.1 t-160 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.95 -22.19 66.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.627 ' CG2' ' H ' ' A' ' 2' ' ' PHE . 15.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.627 ' H ' ' CG2' ' A' ' 1' ' ' VAL . 31.7 p90 -54.95 -38.67 68.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -53.19 -25.06 12.44 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.848 -179.06 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 7.6 m-30 -78.6 -37.61 42.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.218 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.581 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.482 ' CE1' ' HZ1' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 56.49 44.52 24.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.35 -30.73 65.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.096 0.474 . . . . 0.0 110.673 -179.59 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -54.66 -26.37 32.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.893 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 -70.16 -43.7 70.33 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 2' ' ' PHE . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.528 ' HA ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.485 ' HA2' HG21 ' A' ' 16' ' ' VAL . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 HG21 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.98 20.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -56.7 -33.99 66.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -52.17 -26.76 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 -68.44 -57.88 5.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.624 ' H ' ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' HA2' HG22 ' A' ' 16' ' ' VAL . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG22 ' HA2' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -92.84 42.07 1.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.139 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -57.31 -30.21 64.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 6.4 mp0 -63.64 -30.63 71.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.462 -178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 2.5 m-30 -68.9 -44.24 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.136 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.495 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -113.93 42.26 2.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -57.09 -38.19 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.728 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.537 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -50.48 -30.15 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 -72.07 -52.52 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' CD2' ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.559 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' CE1' ' NZ ' ' A' ' 7' ' ' LYS . 8.8 m170 -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.479 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.479 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -75.9 -20.94 57.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' SER . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 120.003 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.463 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 3.5 t . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -30.17 58.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.27 0.557 . . . . 0.0 109.699 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 1' ' ' VAL . 8.6 mp0 -57.72 -28.58 64.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.226 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -74.9 -39.23 61.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.411 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -65.47 -50.29 65.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 45.9 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.348 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -27.37 15.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.243 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 -78.05 -43.51 29.07 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 5' ' ' LEU . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.517 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' HA ' HG23 ' A' ' 12' ' ' VAL . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.454 ' H ' HG13 ' A' ' 9' ' ' ILE . 19.5 t-160 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.521 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 16' ' ' VAL . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG23 ' HA2' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -50.94 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.606 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 18' ' ' GLY . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.467 ' H ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 . . . . . 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.0 t60 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 18' ' ' GLY . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' ILE . 7.6 m-30 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.566 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' GLY . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.937 HD12 ' H ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' ASN . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.742 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 2.5 m-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.898 0.38 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 18' ' ' GLY . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.574 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' GLY . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' GLY . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.811 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.2 t60 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 18' ' ' GLY . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 3' ' ' GLN . 33.8 m . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.092 -0.706 . . . . 0.0 109.092 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -55.93 -33.49 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.612 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 1' ' ' VAL . 82.8 mt-30 -49.95 -39.83 41.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.083 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 -61.78 -45.13 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.606 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 18' ' ' GLY . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -53.59 -48.28 69.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -56.22 -33.69 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.036 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.73 -26.98 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.74 0.305 . . . . 0.0 110.575 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 -83.07 -62.27 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.467 ' H ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -89.03 18.32 5.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.093 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -41.7 74.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.732 0.301 . . . . 0.0 111.083 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -50.96 -27.29 7.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.05 0.452 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -77.06 -61.47 1.97 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.306 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 2.0 t60 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 18' ' ' GLY . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.95 -22.19 66.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 2' ' ' PHE . 15.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.849 ' H ' HG22 ' A' ' 1' ' ' VAL . 31.7 p90 -54.95 -38.67 68.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -53.19 -25.06 12.44 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.848 -179.06 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' ILE . 7.6 m-30 -78.6 -37.61 42.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.218 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 56.49 44.52 24.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 1' ' ' VAL . 3.3 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.35 -30.73 65.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.096 0.474 . . . . 0.0 110.673 -179.59 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -54.66 -26.37 32.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.893 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 -70.16 -43.7 70.33 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.566 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' GLY . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.98 20.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.704 HG13 ' H ' ' A' ' 3' ' ' GLN . 5.1 p . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.661 ' H ' HG22 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -56.7 -33.99 66.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' H ' HG13 ' A' ' 1' ' ' VAL . 2.1 mm-40 -52.17 -26.76 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 -68.44 -57.88 5.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.937 HD12 ' H ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' ASN . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.742 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -92.84 42.07 1.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.139 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.696 HG12 ' CE1' ' A' ' 4' ' ' PHE . 24.0 m . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -57.31 -30.21 64.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -63.64 -30.63 71.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.462 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CE1' HG12 ' A' ' 1' ' ' VAL . 2.5 m-30 -68.9 -44.24 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.136 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 18' ' ' GLY . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -113.93 42.26 2.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -57.09 -38.19 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.728 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -50.48 -30.15 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 -72.07 -52.52 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.574 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' GLY . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -75.9 -20.94 57.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' SER . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 120.003 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -30.17 58.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.27 0.557 . . . . 0.0 109.699 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -57.72 -28.58 64.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.226 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -74.9 -39.23 61.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' GLY . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -65.47 -50.29 65.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' SER . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 45.9 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 5' ' ' LEU . 60.8 m-85 -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.348 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -27.37 15.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.243 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 -78.05 -43.51 29.07 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 2' ' ' PHE . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.811 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.2 t60 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 18' ' ' GLY . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -50.94 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.606 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 18' ' ' GLY . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.467 ' H ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 . . . . . 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 23.1 t-160 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 18' ' ' GLY . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' ILE . 7.6 m-30 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.566 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' GLY . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 . . . . . 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.937 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' ASN . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.742 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 2.5 m-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.898 0.38 . . . . 0.0 110.136 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 18' ' ' GLY . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.574 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.412 ' CE1' ' NZ ' ' A' ' 7' ' ' LYS . 8.8 m170 -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' GLY . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' GLY . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.811 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . 19.5 t-160 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 18' ' ' GLY . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 3' ' ' GLN . 33.8 m . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.092 -0.706 . . . . 0.0 109.092 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -55.93 -33.49 64.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.612 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 1' ' ' VAL . 82.8 mt-30 -49.95 -39.83 41.8 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.083 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 8' ' ' ILE . 21.8 m-85 -61.78 -45.13 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.04 -35.38 76.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.913 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.95 -44.89 87.73 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.099 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -69.14 -26.86 65.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.246 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.606 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 14.5 mm -63.8 -54.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.387 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -70.35 -37.38 70.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 0.0 110.849 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -57.3 -33.96 68.22 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.5 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -68.43 -45.09 73.49 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.631 0.729 . . . . 0.0 109.206 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -67.09 -45.29 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.203 0 CA-C-N 114.413 -1.267 . . . . 0.0 109.753 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.45 94.69 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -32.25 56.72 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 121.074 -0.251 . . . . 0.0 111.086 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.17 -46.41 34.34 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.73 0.776 . . . . 0.0 109.391 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.22 -44.79 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 114.557 -1.201 . . . . 0.0 109.099 179.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -70.76 -43.48 68.69 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.157 -0.929 . . . . 0.0 108.978 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -58.35 -38.33 90.16 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -55.04 -43.74 74.03 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.164 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -57.12 -46.7 82.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.206 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 18' ' ' GLY . 42.3 t -66.46 -49.13 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.581 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -53.59 -48.28 69.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.266 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -56.22 -33.69 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.036 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -55.73 -26.98 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.74 0.305 . . . . 0.0 110.575 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' O ' HG12 ' A' ' 8' ' ' ILE . 18.4 t80 -83.07 -62.27 1.64 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -58.78 -41.92 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.465 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -55.63 -42.83 85.67 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -71.11 -29.35 65.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.472 179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 12' ' ' VAL . 10.0 mm -69.44 -54.49 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.192 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -59.43 -34.38 54.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.359 0.6 . . . . 0.0 110.069 179.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 7.2 t-160 -57.16 -34.99 69.0 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.124 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -70.39 -41.23 73.31 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.45 -47.84 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.522 178.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.83 98.52 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -57.12 -29.54 63.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.371 -0.415 . . . . 0.0 110.792 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.9 -44.83 68.88 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.467 ' H ' HG23 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -67.1 -50.43 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.425 179.198 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -43.46 98.06 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' ASN . . . -57.29 -50.47 64.4 Favored Glycine 0 C--N 1.332 0.342 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -55.85 -47.89 76.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -59.33 -37.53 78.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.365 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -49.18 67.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.01 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.06 -50.69 56.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.735 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -89.03 18.32 5.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.635 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.093 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -41.7 74.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.732 0.301 . . . . 0.0 111.083 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -50.96 -27.29 7.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.05 0.452 . . . . 0.0 110.713 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -77.06 -61.47 1.97 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.306 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' CD2' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -69.15 -35.38 76.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.617 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.2 -46.05 72.03 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.326 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -72.49 -30.4 64.49 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 118.023 0.911 . . . . 0.0 110.499 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.3 mm -61.52 -54.64 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.586 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.1 OUTLIER -58.15 -33.77 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.505 0.669 . . . . 0.0 109.258 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 14' ' ' ASN . 23.1 t-160 -70.39 -33.28 71.21 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.481 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -65.65 -43.04 90.63 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -62.32 -47.38 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.096 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.642 178.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.6 94.47 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -54.76 -30.54 56.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.677 -0.262 . . . . 0.0 111.397 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -72.52 -42.4 64.83 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -67.6 -42.49 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-N 113.889 -1.505 . . . . 0.0 108.997 178.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' HIS . 85.5 t60 -57.53 -43.42 84.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.528 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.569 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -60.23 -50.88 62.76 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 178.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -54.69 -41.66 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -68.41 -38.61 81.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.058 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' HIS . 0.9 OUTLIER -57.43 -39.2 75.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.018 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 18' ' ' GLY . 16.5 t -57.34 -41.05 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -65.95 -22.19 66.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 2' ' ' PHE . 15.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.849 ' H ' HG22 ' A' ' 1' ' ' VAL . 31.7 p90 -54.95 -38.67 68.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.506 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -53.19 -25.06 12.44 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.848 -179.06 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.482 ' O ' HG12 ' A' ' 8' ' ' ILE . 7.6 m-30 -78.6 -37.61 42.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.218 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -56.95 -38.34 72.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.635 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.39 -38.64 96.7 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.62 -31.12 69.06 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.586 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 18.4 mm -54.73 -54.66 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -36.07 43.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 110.82 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -67.2 -34.34 77.31 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.328 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.516 ' CE1' ' HZ3' ' A' ' 7' ' ' LYS . 3.8 m170 -66.05 -40.33 90.88 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.328 0.585 . . . . 0.0 109.982 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.23 -47.52 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.956 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.4 -37.86 90.64 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -54.84 -31.06 59.04 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -73.25 -39.13 65.68 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -67.55 -44.39 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.081 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.165 179.06 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' HIS . 3.8 t60 -58.81 -43.54 90.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.308 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.44 -48.77 84.39 Favored Glycine 0 C--N 1.33 0.197 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -60.85 -47.88 84.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.472 0.654 . . . . 0.0 109.599 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -63.68 -38.78 92.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.234 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' HIS . 9.2 t-160 -57.46 -51.89 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.99 -50.7 46.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 56.49 44.52 24.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.147 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.513 0 O-C-N 119.936 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 1' ' ' VAL . 3.3 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HA ' ' HG ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.35 -30.73 65.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.096 0.474 . . . . 0.0 110.673 -179.59 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -54.66 -26.37 32.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.893 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 28.2 t80 -70.16 -43.7 70.33 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.45 0.643 . . . . 0.0 110.082 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.566 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -57.62 -30.81 65.65 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.325 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -56.02 -46.13 85.36 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.738 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.29 -28.0 63.82 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.461 178.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.3 mm -70.23 -54.69 17.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.57 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -57.52 -36.27 53.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.257 0.551 . . . . 0.0 109.563 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -60.66 -34.54 74.45 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.385 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -70.99 -40.4 71.88 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -67.39 -46.83 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.003 178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.49 -42.14 98.94 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -58.67 -28.57 65.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.823 0.344 . . . . 0.0 110.107 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -68.02 -45.15 74.79 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -43.81 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.162 178.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.78 -42.81 84.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.633 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.693 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -57.53 -51.25 58.93 Favored Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.71 -40.11 75.08 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m -63.19 -41.43 99.19 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.94 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -65.67 -43.62 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.507 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 18' ' ' GLY . 97.8 t -57.54 -41.59 79.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.98 20.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.306 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.704 HG13 ' H ' ' A' ' 3' ' ' GLN . 5.1 p . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.661 ' H ' HG22 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -56.7 -33.99 66.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 -179.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.704 ' H ' HG13 ' A' ' 1' ' ' VAL . 2.1 mm-40 -52.17 -26.76 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.188 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 2.7 t80 -68.44 -57.88 5.18 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.048 0.452 . . . . 0.0 110.165 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.937 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -70.87 -32.77 69.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.401 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.82 -45.45 91.37 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.139 -0.482 . . . . 0.0 113.285 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -57.65 -23.64 52.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.715 0.758 . . . . 0.0 111.566 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 12' ' ' VAL . 77.5 mt -51.15 -38.73 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.294 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -38.13 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.673 0.749 . . . . 0.0 109.343 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' ASN . 2.3 t60 -65.33 -32.3 73.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.395 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -66.19 -41.47 90.17 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -65.51 -49.13 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.317 0 CA-C-N 114.463 -1.244 . . . . 0.0 108.958 179.114 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.68 -38.69 95.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -54.91 -30.99 59.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.229 . . . . 0.0 111.01 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.76 -46.47 36.94 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -60.09 -41.33 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.38 178.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -58.37 -43.27 88.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.742 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -62.56 -51.99 52.11 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -56.19 -47.26 78.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -55.4 -44.1 75.85 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -50.51 73.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.163 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' GLY . 3.5 t -62.56 -45.42 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.466 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -92.84 42.07 1.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.499 0 O-C-N 120.139 -1.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.696 HG12 ' CE1' ' A' ' 4' ' ' PHE . 24.0 m . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -57.31 -30.21 64.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.306 0.574 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -63.64 -30.63 71.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.462 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.696 ' CE1' HG12 ' A' ' 1' ' ' VAL . 2.5 m-30 -68.9 -44.24 73.61 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.136 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -56.39 -35.8 68.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.746 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -58.04 -42.47 95.02 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -72.07 -32.82 67.41 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.129 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' VAL . 21.3 mm -57.96 -52.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.009 -178.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.7 OUTLIER -56.31 -37.95 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 110.4 -178.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -57.52 -33.87 68.52 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -71.23 -44.31 65.6 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.651 0.739 . . . . 0.0 109.2 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -63.81 -48.57 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.021 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.319 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.98 -39.32 97.41 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -32.18 56.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.551 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -74.62 -43.04 57.39 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.564 0.697 . . . . 0.0 109.224 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -67.8 -45.81 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.269 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -57.84 -43.18 85.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.826 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.18 -50.31 62.75 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -54.88 -47.51 74.17 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.99 -41.78 97.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.785 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -69.66 -49.83 49.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 18' ' ' GLY . 11.1 t -65.51 -42.56 93.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.933 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -113.93 42.26 2.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.428 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -57.09 -38.19 73.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.728 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -50.48 -30.15 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.5 m-85 -72.07 -52.52 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -62.36 -36.0 80.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.422 179.205 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -57.47 -46.06 92.36 Favored Glycine 0 CA--C 1.525 0.692 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.499 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -72.09 -28.38 63.27 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.069 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.574 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 2.2 mm -60.44 -55.57 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.54 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 6' ' ' GLY . 0.6 OUTLIER -61.08 -36.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.807 0.813 . . . . 0.0 110.174 179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -63.1 -33.6 75.8 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.682 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' CE1' ' NZ ' ' A' ' 7' ' ' LYS . 8.8 m170 -69.15 -41.47 77.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -66.59 -42.24 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.077 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.79 -37.66 92.48 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -54.68 -31.53 57.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.465 -0.367 . . . . 0.0 111.586 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.65 -38.25 67.72 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -68.29 -46.35 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.607 178.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.166 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -61.74 -50.98 60.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -54.93 -47.79 73.97 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 13.9 m -60.55 -40.1 90.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.022 178.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.76 71.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.879 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 18' ' ' GLY . 92.9 t -58.36 -50.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.707 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -75.9 -20.94 57.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.327 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' SER . . . . . . . . 0 C--N 1.3 -1.556 0 O-C-N 120.003 -1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -30.17 58.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.27 0.557 . . . . 0.0 109.699 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -57.72 -28.58 64.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.226 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -74.9 -39.23 61.57 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.467 0.651 . . . . 0.0 109.57 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.46 -30.7 67.59 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.137 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.414 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -54.14 -46.25 70.98 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.34 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -70.69 -32.09 69.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.099 0.949 . . . . 0.0 109.266 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' VAL . 11.5 mm -63.3 -54.52 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.57 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.0 OUTLIER -60.13 -35.13 59.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 109.965 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.22 -35.23 69.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.382 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -71.99 -43.61 64.81 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -59.85 -35.63 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.497 179.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.33 -35.63 85.68 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -29.35 70.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.599 -0.301 . . . . 0.0 110.649 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -68.58 -39.14 81.08 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -61.11 -48.98 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.133 0 CA-C-N 114.281 -1.327 . . . . 0.0 108.752 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -64.67 -43.41 93.66 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.95 -49.74 69.16 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 108.663 -1.775 . . . . 0.0 108.663 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.39 -48.73 73.89 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' NH2 . 14.4 m -59.23 -40.82 87.11 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -51.48 68.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.104 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 18' ' ' GLY . 44.9 t -65.57 -40.15 87.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.62 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -65.47 -50.29 65.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' SER . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 4' ' ' PHE . 45.9 t . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 5' ' ' LEU . 60.8 m-85 -56.39 -36.49 68.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.348 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -27.37 15.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.243 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 5.5 m-85 -78.05 -43.51 29.07 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 2' ' ' PHE . 1.8 mt -68.93 -31.49 70.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.299 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' ILE . . . -61.61 -45.48 96.23 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.866 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -71.05 -28.01 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.788 -179.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.811 ' O ' HG23 ' A' ' 12' ' ' VAL . 6.7 mm -54.77 -55.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' GLY . 1.2 pt -57.66 -38.61 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.665 0.745 . . . . 0.0 110.048 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . 19.5 t-160 -65.92 -32.68 74.33 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.718 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -70.91 -39.91 72.44 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.575 0.702 . . . . 0.0 109.215 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -65.58 -48.65 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.918 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.59 -43.3 94.29 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -56.65 -29.46 62.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.404 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -76.51 -46.94 24.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.9 0.857 . . . . 0.0 108.87 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -60.96 -34.07 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 113.966 -1.47 . . . . 0.0 109.713 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -56.21 -42.05 76.61 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -56.06 -45.23 87.71 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 178.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -68.08 -40.55 82.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -54.03 -41.24 67.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.338 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -58.18 -41.87 84.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.014 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 18' ' ' GLY . 6.4 t -70.12 -42.28 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -50.94 71.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.053 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.549 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_