data_1kz2_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 1kz2 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' LYS . . . . . 0.786 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.18 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 5' ' ' ILE . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.164 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.644 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.3 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.706 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.821 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.7 mptp? . . . . . 0 C--O 1.205 -1.241 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.472 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.721 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.803 ' N ' ' O ' ' A' ' 4' ' ' LYS . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.788 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.727 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.751 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.6 mptt . . . . . 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.517 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.742 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.236 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.516 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.696 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.791 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.761 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 5' ' ' ILE . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.7 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.502 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.749 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.537 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.61 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.835 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.759 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.835 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.131 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.653 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 13.7 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.653 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.733 ' O ' ' N ' ' A' ' 8' ' ' GLN . 5.2 mptp? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.1 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.601 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.601 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.64 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.711 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.218 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 5' ' ' ILE . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.207 -1.147 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.503 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.595 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.741 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.741 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HD3' ' CE ' ' A' ' 12' ' ' MET . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.226 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 5' ' ' ILE . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.695 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.789 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 mptm? . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.638 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.777 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.197 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 5' ' ' ILE . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.8 mptp? . . . . . 0 C--O 1.207 -1.168 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.73 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.736 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? . . . . . 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.806 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.806 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.213 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 5' ' ' ILE . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.793 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.499 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.641 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.813 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.444 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.692 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.481 HD11 ' N ' ' A' ' 5' ' ' ILE . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.1 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.695 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.79 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.754 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptp? . . . . . 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.511 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.51 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.704 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptm? . . . . . 0 C--O 1.207 -1.181 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 11.8 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.691 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.3 mptm? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.9 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.727 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 34.7 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.561 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.746 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.746 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.759 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 mptp? . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.206 -1.206 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.479 HD11 ' N ' ' A' ' 5' ' ' ILE . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.544 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.727 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.206 -1.186 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.728 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.74 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.738 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.207 -1.173 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 15.7 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 1.1 t30 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.3 mptp? . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.74 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.763 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 mptp? . . . . . 0 C--O 1.207 -1.16 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' ASN . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.675 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' CD1' ' N ' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.678 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.555 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 15.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.081 0.467 . . . . 15.0 110.749 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.9 mt-30 -149.42 -59.33 0.21 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.199 -0.938 . . . . 15.0 110.816 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.36 -46.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.462 -0.774 . . . . 15.0 109.989 -179.417 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -72.03 -39.24 69.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 120.999 0.428 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.718 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 22.6 mt-30 -135.27 -40.96 0.73 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.287 -0.883 . . . . 15.0 110.738 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.518 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -38.29 -40.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.872 -1.142 . . . . 15.0 109.574 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.718 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.792 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.3 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.706 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.903 0.382 . . . . 15.0 110.977 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.565 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.9 mt-30 -149.27 -60.48 0.22 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.986 . . . . 15.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.17 -47.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.422 -0.799 . . . . 15.0 109.883 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.821 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.7 mptp? -70.26 -40.17 74.53 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.721 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.002 0.43 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.54 ' CA ' HG12 ' A' ' 5' ' ' ILE . 33.0 mt-30 -150.26 -54.83 0.16 Allowed 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.13 -0.981 . . . . 15.0 111.188 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.738 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -44.96 -41.47 2.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 O-C-N 121.297 -0.877 . . . . 15.0 109.175 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? -72.73 -41.45 65.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 176.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.54 HG12 ' CA ' ' A' ' 2' ' ' GLN . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.803 ' N ' ' O ' ' A' ' 4' ' ' LYS . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.697 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.788 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.236 0.541 . . . . 15.0 110.177 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 55.1 mt-30 -137.34 -40.6 0.58 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.305 -0.872 . . . . 15.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -37.94 -41.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.853 -1.154 . . . . 15.0 109.626 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.3 -35.09 78.75 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 178.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.727 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 120.99 0.424 . . . . 15.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.581 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.7 mt-30 -150.27 -56.55 0.17 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.208 -0.933 . . . . 15.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.759 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.44 -41.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 O-C-N 121.201 -0.937 . . . . 15.0 108.713 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' HD2' HG12 ' A' ' 3' ' ' ILE . 2.6 mptt -69.72 -41.45 75.33 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 176.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' HG3' HG13 ' A' ' 3' ' ' ILE . 11.8 ptm180 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.999 -0.371 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 5' ' ' ILE . 66.6 mt-30 -126.56 -47.31 1.57 Allowed 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.498 -1.376 . . . . 15.0 111.448 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -34.37 -42.37 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.764 -1.21 . . . . 15.0 110.423 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.742 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -67.84 -33.09 74.1 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.878 -0.729 . . . . 15.0 109.248 178.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.709 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.583 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 7.1 ptp85 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.033 0.444 . . . . 15.0 110.701 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.702 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.9 mt-30 -137.76 -37.23 0.6 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 15.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.524 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -45.99 -35.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.871 -1.143 . . . . 15.0 108.407 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -69.21 -36.33 77.15 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 177.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.702 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.696 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.791 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 2.5 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.983 0.42 . . . . 15.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 5' ' ' ILE . 12.3 mt-30 -148.46 -60.12 0.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.251 -0.906 . . . . 15.0 111.203 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -38.51 -46.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 15.0 109.892 -179.226 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.761 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -70.49 -40.23 73.72 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.546 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.7 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.853 0.359 . . . . 15.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.684 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 67.6 mt-30 -122.07 -42.57 2.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.137 -0.977 . . . . 15.0 110.696 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -38.31 -40.18 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.002 -1.061 . . . . 15.0 109.468 179.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt -68.41 -35.51 77.76 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.684 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.749 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 17.1 ptm180 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.993 0.425 . . . . 15.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.551 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.2 mt-30 -147.74 -58.26 0.25 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 15.0 110.845 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -37.9 -46.11 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 15.0 109.753 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm -71.7 -41.4 68.66 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 HG12 ' CA ' ' A' ' 2' ' ' GLN . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.61 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.835 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.759 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.835 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.768 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.7 mt-30 -146.04 -60.11 0.32 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.905 -1.122 . . . . 15.0 111.515 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -36.64 -48.67 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 15.0 110.478 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER -71.74 -38.42 70.44 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 178.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.653 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 13.7 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.653 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.57 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.125 0.488 . . . . 15.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.754 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.5 mt-30 -137.9 -36.35 0.62 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.334 -0.853 . . . . 15.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.714 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.26 -35.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 120.782 -1.199 . . . . 15.0 108.201 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.733 ' O ' ' N ' ' A' ' 8' ' ' GLN . 5.2 mptp? -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.754 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.1 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.601 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.601 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.82 0.343 . . . . 15.0 110.733 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ILE . 30.5 mt-30 -148.49 -61.49 0.24 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.217 -0.927 . . . . 15.0 111.092 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.524 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.66 -47.25 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.444 -0.785 . . . . 15.0 109.857 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -70.45 -40.9 73.46 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 177.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.711 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 121.034 0.445 . . . . 15.0 110.161 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.0 mt-30 -148.32 -60.14 0.24 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.409 -0.807 . . . . 15.0 111.116 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.525 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -37.6 -47.54 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 15.0 110.054 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -71.19 -39.99 71.48 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.558 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.489 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.136 0.493 . . . . 15.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.718 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 31.2 mt-30 -137.96 -42.55 0.52 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.352 -0.843 . . . . 15.0 110.611 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -38.06 -40.68 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.035 -1.041 . . . . 15.0 109.638 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -67.39 -35.11 78.66 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.345 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.718 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.595 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.072 0.463 . . . . 15.0 110.453 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.716 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.8 mt-30 -140.2 -42.28 0.42 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.297 -0.877 . . . . 15.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -37.82 -40.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.014 -1.054 . . . . 15.0 109.64 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -67.51 -35.93 80.06 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.716 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.741 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.741 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HD3' ' CE ' ' A' ' 12' ' ' MET . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 9.5 ptp85 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.085 -0.339 . . . . 15.0 110.085 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.571 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.0 mt-30 -145.42 -59.8 0.34 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.921 -1.112 . . . . 15.0 111.246 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.487 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -37.1 -48.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.39 -0.819 . . . . 15.0 110.309 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -70.66 -39.52 73.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 177.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.571 HG12 ' CA ' ' A' ' 2' ' ' GLN . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.695 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.789 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.162 0.506 . . . . 15.0 110.167 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.718 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 36.5 mt-30 -143.91 -42.02 0.27 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.3 -0.875 . . . . 15.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.504 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -36.76 -41.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.902 -1.124 . . . . 15.0 110.1 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 mptm? -68.16 -34.14 75.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.653 -0.654 . . . . 15.0 109.35 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.718 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.998 0.428 . . . . 15.0 110.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.7 mt-30 -148.56 -60.08 0.24 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.289 -0.882 . . . . 15.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.19 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.479 -0.763 . . . . 15.0 109.934 -179.392 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.777 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -70.46 -40.12 73.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 177.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.555 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.673 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.133 0.492 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.56 ' O ' ' N ' ' A' ' 5' ' ' ILE . 25.0 mt-30 -149.19 -60.26 0.22 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.292 -0.88 . . . . 15.0 111.022 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.492 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.63 -47.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.837 . . . . 15.0 110.023 -179.314 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.8 mptp? -70.94 -40.16 72.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 177.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.56 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.73 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.736 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 2' ' ' GLN . 11.6 ptm180 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.308 0.575 . . . . 15.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.753 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 33.4 mt-30 -137.83 -35.78 0.64 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.295 -0.878 . . . . 15.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.743 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.32 -35.57 3.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.695 -1.253 . . . . 15.0 108.182 179.306 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? -67.41 -37.09 82.52 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.753 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.806 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.698 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.806 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 121.001 0.429 . . . . 15.0 110.624 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.586 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.6 mt-30 -149.07 -60.82 0.23 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.211 -0.93 . . . . 15.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.499 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -39.01 -47.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.345 -0.847 . . . . 15.0 109.686 -179.545 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -69.34 -40.67 77.42 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 177.833 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.793 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.499 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.78 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.038 0.447 . . . . 15.0 110.612 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.721 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 54.0 mt-30 -137.38 -43.81 0.55 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.272 -0.893 . . . . 15.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -37.7 -40.91 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.981 -1.075 . . . . 15.0 109.607 179.59 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.17 -35.61 80.03 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 178.351 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.721 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.813 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.692 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.09 0.471 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.707 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 7.4 mt-30 -140.75 -42.37 0.4 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.203 -0.935 . . . . 15.0 110.704 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -36.79 -41.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.012 -1.055 . . . . 15.0 109.867 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.83 -35.23 78.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.515 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.674 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.5 ptp180 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.991 0.424 . . . . 15.0 110.694 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 36.4 mt-30 -149.5 -60.86 0.22 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.249 -0.907 . . . . 15.0 111.047 -179.733 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.513 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.93 -47.43 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.808 . . . . 15.0 109.904 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -70.61 -40.35 73.24 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.93 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.1 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.695 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.79 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.143 0.497 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.763 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 51.9 mt-30 -143.45 -35.37 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.263 -0.898 . . . . 15.0 111.306 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.722 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.57 -36.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 120.737 -1.227 . . . . 15.0 108.601 179.747 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.754 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptp? -67.91 -35.53 78.62 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 177.676 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.763 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.016 0.436 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.681 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 24.8 mt-30 -137.98 -41.31 0.53 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.242 -0.911 . . . . 15.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -39.11 -39.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.982 -1.074 . . . . 15.0 109.377 179.611 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt -68.11 -36.65 80.09 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 178.422 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.681 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.704 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.015 0.436 . . . . 15.0 110.505 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 5' ' ' ILE . 26.8 mt-30 -148.65 -62.31 0.24 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.254 -0.904 . . . . 15.0 111.062 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -36.86 -47.67 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 15.0 110.03 -179.209 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptm? -69.7 -41.29 75.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 178.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.573 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 11.8 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.691 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.056 0.455 . . . . 15.0 110.119 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.719 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 49.7 mt-30 -139.67 -37.57 0.49 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 121.17 -0.956 . . . . 15.0 111.441 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.51 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -37.07 -41.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.807 -1.183 . . . . 15.0 110.273 -179.668 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.3 mptm? -69.97 -32.2 70.31 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.475 -0.765 . . . . 15.0 109.348 178.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.719 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.9 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.727 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.113 0.482 . . . . 15.0 110.216 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.728 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 18.0 mt-30 -140.0 -39.84 0.44 Allowed 'General case' 0 C--N 1.307 -1.283 0 O-C-N 121.411 -0.806 . . . . 15.0 110.901 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -37.29 -41.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.796 -1.19 . . . . 15.0 109.939 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.78 -34.08 76.09 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 178.443 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.728 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 34.7 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.561 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.746 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.746 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.439 ' HG3' ' CG1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.1 mt-30 -109.33 -47.58 3.38 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.8 -1.187 . . . . 15.0 110.658 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.2 OUTLIER -35.75 -40.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.96 -1.088 . . . . 15.0 109.711 179.39 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 mptp? -67.46 -34.83 78.0 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 178.406 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.129 0.49 . . . . 15.0 110.641 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.6 mt-30 -146.81 -60.76 0.29 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.408 -0.808 . . . . 15.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.07 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.294 -0.879 . . . . 15.0 110.026 -179.335 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.8 mptp? -71.3 -38.83 71.74 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 178.031 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.111 0.482 . . . . 15.0 110.64 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.759 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.8 mt-30 -140.35 -35.85 0.49 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.249 -0.907 . . . . 15.0 110.947 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.733 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.85 -35.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 120.814 -1.179 . . . . 15.0 108.297 179.358 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -67.55 -36.56 81.2 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 177.627 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.759 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.544 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.727 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.983 0.42 . . . . 15.0 110.722 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.76 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 34.2 mt-30 -141.01 -35.3 0.48 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.168 -0.958 . . . . 15.0 111.103 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.741 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.81 -35.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 O-C-N 120.671 -1.268 . . . . 15.0 108.507 179.541 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -68.18 -35.91 78.77 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 177.632 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.542 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.728 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.74 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.064 0.459 . . . . 15.0 110.109 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.762 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.6 mt-30 -142.82 -34.16 0.44 Allowed 'General case' 0 C--N 1.307 -1.248 0 O-C-N 121.269 -0.894 . . . . 15.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.728 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.53 -36.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 120.602 -1.311 . . . . 15.0 108.863 179.871 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.738 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -68.75 -34.45 75.61 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.54 -0.725 . . . . 15.0 109.229 177.726 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.762 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 15.7 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 1.1 t30 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.026 0.441 . . . . 15.0 110.425 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.538 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.2 mt-30 -149.39 -55.52 0.18 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.395 -0.816 . . . . 15.0 111.169 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.757 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -45.37 -41.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 O-C-N 121.265 -0.897 . . . . 15.0 108.977 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.3 mptp? -71.28 -41.6 69.8 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 176.735 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.529 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.727 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.74 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.079 0.466 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ILE . 16.8 mt-30 -147.49 -60.13 0.27 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.285 -0.884 . . . . 15.0 111.294 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.498 ' CD1' ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.08 -48.07 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.401 -0.812 . . . . 15.0 110.247 -179.022 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.763 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 mptp? -71.23 -39.08 71.92 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 178.138 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 2' ' ' GLN . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.675 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.675 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 3.8 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.043 0.449 . . . . 15.0 110.763 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.712 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 52.3 mt-30 -136.42 -44.12 0.61 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.209 -0.932 . . . . 15.0 110.658 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -37.51 -40.7 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.929 -1.107 . . . . 15.0 109.639 179.646 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.22 -35.58 79.89 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 178.35 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.712 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.678 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.678 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.555 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.18 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.164 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.818 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.7 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.719 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.818 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.821 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.7 mptp? . . . . . 0 C--O 1.205 -1.241 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.55 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.738 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.819 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.825 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.825 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.751 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.6 mptt . . . . . 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.742 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.236 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.612 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.828 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.761 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 40.8 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.572 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.873 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.771 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.873 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.131 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 37.6 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.6 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.733 ' O ' ' N ' ' A' ' 8' ' ' GLN . 5.2 mptp? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.2 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.747 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.218 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.613 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.207 -1.147 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.627 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.757 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.226 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.712 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 mptm? . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.777 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.197 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.8 mptp? . . . . . 0 C--O 1.207 -1.168 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.745 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.773 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? . . . . . 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.213 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.817 ' O ' ' HG3' ' A' ' 12' ' ' MET . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.555 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.732 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.817 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.85 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.711 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.85 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 37.7 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.754 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptp? . . . . . 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.718 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptm? . . . . . 0 C--O 1.207 -1.181 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.882 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.5 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.71 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.882 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.3 mptm? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 48.8 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 18.2 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.762 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.762 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.759 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 mptp? . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.206 -1.206 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.596 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.763 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.206 -1.186 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.775 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.593 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.775 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.738 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.207 -1.173 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 45.5 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.6 t-20 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.3 mptp? . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.597 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.763 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 mptp? . . . . . 0 C--O 1.207 -1.16 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.557 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.54 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 15.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.081 0.467 . . . . 15.0 110.749 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.9 mt-30 -149.42 -59.33 0.21 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.199 -0.938 . . . . 15.0 110.816 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.868 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.36 -46.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.462 -0.774 . . . . 15.0 109.989 -179.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.868 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.03 -39.24 69.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 120.999 0.428 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 22.6 mt-30 -135.27 -40.96 0.73 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.287 -0.883 . . . . 15.0 110.738 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.715 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.29 -40.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.872 -1.142 . . . . 15.0 109.574 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.818 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.7 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.719 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.818 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.903 0.382 . . . . 15.0 110.977 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.9 mt-30 -149.27 -60.48 0.22 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.986 . . . . 15.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.867 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.17 -47.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.422 -0.799 . . . . 15.0 109.883 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.867 ' CD ' HD12 ' A' ' 3' ' ' ILE . 4.7 mptp? -70.26 -40.17 74.53 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.55 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.738 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.819 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.002 0.43 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.56 ' CA ' HG12 ' A' ' 5' ' ' ILE . 33.0 mt-30 -150.26 -54.83 0.16 Allowed 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.13 -0.981 . . . . 15.0 111.188 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.792 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -44.96 -41.47 2.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 O-C-N 121.297 -0.877 . . . . 15.0 109.175 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? -72.73 -41.45 65.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 176.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.825 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.825 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.236 0.541 . . . . 15.0 110.177 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.735 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 55.1 mt-30 -137.34 -40.6 0.58 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.305 -0.872 . . . . 15.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.705 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.94 -41.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.853 -1.154 . . . . 15.0 109.626 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.3 -35.09 78.75 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 178.435 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.735 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 120.99 0.424 . . . . 15.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.7 mt-30 -150.27 -56.55 0.17 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.208 -0.933 . . . . 15.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.816 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.44 -41.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 O-C-N 121.201 -0.937 . . . . 15.0 108.713 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.816 ' HD2' HG12 ' A' ' 3' ' ' ILE . 2.6 mptt -69.72 -41.45 75.33 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 176.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.707 ' HD3' HD11 ' A' ' 3' ' ' ILE . 11.8 ptm180 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.999 -0.371 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 5' ' ' ILE . 66.6 mt-30 -126.56 -47.31 1.57 Allowed 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.498 -1.376 . . . . 15.0 111.448 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.802 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -34.37 -42.37 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.764 -1.21 . . . . 15.0 110.423 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -67.84 -33.09 74.1 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.878 -0.729 . . . . 15.0 109.248 178.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.709 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.612 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 7.1 ptp85 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.033 0.444 . . . . 15.0 110.701 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.712 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.9 mt-30 -137.76 -37.23 0.6 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 15.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.716 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -45.99 -35.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.871 -1.143 . . . . 15.0 108.407 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -69.21 -36.33 77.15 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 177.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.712 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.828 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 2.5 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.983 0.42 . . . . 15.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.552 ' CA ' HG12 ' A' ' 5' ' ' ILE . 12.3 mt-30 -148.46 -60.12 0.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.251 -0.906 . . . . 15.0 111.203 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.862 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -38.51 -46.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 15.0 109.892 -179.226 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.862 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -70.49 -40.23 73.72 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 40.8 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.572 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.853 0.359 . . . . 15.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.692 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 67.6 mt-30 -122.07 -42.57 2.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.137 -0.977 . . . . 15.0 110.696 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -38.31 -40.18 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.002 -1.061 . . . . 15.0 109.468 179.309 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt -68.41 -35.51 77.76 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 17.1 ptm180 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.993 0.425 . . . . 15.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.57 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.2 mt-30 -147.74 -58.26 0.25 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 15.0 110.845 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.504 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.9 -46.11 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 15.0 109.753 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm -71.7 -41.4 68.66 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.873 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.771 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.873 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.576 ' CA ' HG12 ' A' ' 5' ' ' ILE . 48.7 mt-30 -146.04 -60.11 0.32 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.905 -1.122 . . . . 15.0 111.515 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.878 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.64 -48.67 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 15.0 110.478 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.878 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -71.74 -38.42 70.44 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 178.231 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 37.6 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.6 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.125 0.488 . . . . 15.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.762 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.5 mt-30 -137.9 -36.35 0.62 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.334 -0.853 . . . . 15.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.766 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.26 -35.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 120.782 -1.199 . . . . 15.0 108.201 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.766 ' HD2' HG12 ' A' ' 3' ' ' ILE . 5.2 mptp? -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.762 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.2 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.82 0.343 . . . . 15.0 110.733 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ILE . 30.5 mt-30 -148.49 -61.49 0.24 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.217 -0.927 . . . . 15.0 111.092 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.867 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.66 -47.25 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.444 -0.785 . . . . 15.0 109.857 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.867 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.45 -40.9 73.46 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 177.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.747 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.552 ' CG ' HD11 ' A' ' 5' ' ' ILE . 5.9 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 121.034 0.445 . . . . 15.0 110.161 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.0 mt-30 -148.32 -60.14 0.24 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.409 -0.807 . . . . 15.0 111.116 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.871 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -37.6 -47.54 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 15.0 110.054 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.871 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -71.19 -39.99 71.48 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.613 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.136 0.493 . . . . 15.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 31.2 mt-30 -137.96 -42.55 0.52 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.352 -0.843 . . . . 15.0 110.611 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.06 -40.68 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.035 -1.041 . . . . 15.0 109.638 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -67.39 -35.11 78.66 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.345 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.627 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.072 0.463 . . . . 15.0 110.453 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.8 mt-30 -140.2 -42.28 0.42 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.297 -0.877 . . . . 15.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.714 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -37.82 -40.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.014 -1.054 . . . . 15.0 109.64 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -67.51 -35.93 80.06 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.269 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.757 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.43 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 9.5 ptp85 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.085 -0.339 . . . . 15.0 110.085 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.592 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.0 mt-30 -145.42 -59.8 0.34 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.921 -1.112 . . . . 15.0 111.246 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.884 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.1 -48.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.39 -0.819 . . . . 15.0 110.309 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.884 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -70.66 -39.52 73.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 177.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.712 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.162 0.506 . . . . 15.0 110.167 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 36.5 mt-30 -143.91 -42.02 0.27 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.3 -0.875 . . . . 15.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.765 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.76 -41.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.902 -1.124 . . . . 15.0 110.1 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.765 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.5 mptm? -68.16 -34.14 75.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.653 -0.654 . . . . 15.0 109.35 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.0 ptm180 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.998 0.428 . . . . 15.0 110.707 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' A' ' 5' ' ' ILE . 39.5 mt-30 -148.56 -60.08 0.24 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.289 -0.882 . . . . 15.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.873 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.19 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.479 -0.763 . . . . 15.0 109.934 -179.392 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.873 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -70.46 -40.12 73.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 177.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.133 0.492 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' CA ' HG12 ' A' ' 5' ' ' ILE . 25.0 mt-30 -149.19 -60.26 0.22 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.292 -0.88 . . . . 15.0 111.022 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.63 -47.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.837 . . . . 15.0 110.023 -179.314 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.865 ' CD ' HD12 ' A' ' 3' ' ' ILE . 3.8 mptp? -70.94 -40.16 72.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 177.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.745 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.773 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 2' ' ' GLN . 11.6 ptm180 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.308 0.575 . . . . 15.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.76 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 33.4 mt-30 -137.83 -35.78 0.64 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.295 -0.878 . . . . 15.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.792 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.32 -35.57 3.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.695 -1.253 . . . . 15.0 108.182 179.306 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? -67.41 -37.09 82.52 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 121.001 0.429 . . . . 15.0 110.624 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.583 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.6 mt-30 -149.07 -60.82 0.23 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.211 -0.93 . . . . 15.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.855 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -39.01 -47.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.345 -0.847 . . . . 15.0 109.686 -179.545 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.855 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -69.34 -40.67 77.42 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 177.833 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.817 ' O ' ' HG3' ' A' ' 12' ' ' MET . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.555 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.732 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.817 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.038 0.447 . . . . 15.0 110.612 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.731 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 54.0 mt-30 -137.38 -43.81 0.55 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.272 -0.893 . . . . 15.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.73 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -37.7 -40.91 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.981 -1.075 . . . . 15.0 109.607 179.59 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.17 -35.61 80.03 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 178.351 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.85 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.711 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.85 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.411 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 7.1 ptm180 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.09 0.471 . . . . 15.0 110.52 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.716 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 7.4 mt-30 -140.75 -42.37 0.4 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.203 -0.935 . . . . 15.0 110.704 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.728 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.79 -41.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.012 -1.055 . . . . 15.0 109.867 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.83 -35.23 78.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.515 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.716 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.5 ptp180 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.991 0.424 . . . . 15.0 110.694 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.4 mt-30 -149.5 -60.86 0.22 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.249 -0.907 . . . . 15.0 111.047 -179.733 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.888 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.93 -47.43 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.808 . . . . 15.0 109.904 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.888 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -70.61 -40.35 73.24 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.93 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 37.7 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.143 0.497 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.773 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 51.9 mt-30 -143.45 -35.37 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.263 -0.898 . . . . 15.0 111.306 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.769 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.57 -36.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 120.737 -1.227 . . . . 15.0 108.601 179.747 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HD2' HG12 ' A' ' 3' ' ' ILE . 1.9 mptp? -67.91 -35.53 78.62 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 177.676 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.773 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.016 0.436 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.689 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 24.8 mt-30 -137.98 -41.31 0.53 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.242 -0.911 . . . . 15.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.5 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -39.11 -39.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.982 -1.074 . . . . 15.0 109.377 179.611 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt -68.11 -36.65 80.09 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 178.422 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.689 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.718 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.015 0.436 . . . . 15.0 110.505 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 5' ' ' ILE . 26.8 mt-30 -148.65 -62.31 0.24 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.254 -0.904 . . . . 15.0 111.062 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.866 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.86 -47.67 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 15.0 110.03 -179.209 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.866 ' CD ' HD12 ' A' ' 3' ' ' ILE . 1.9 mptm? -69.7 -41.29 75.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 178.038 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.882 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.5 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.71 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.882 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.441 ' NE ' HD11 ' A' ' 3' ' ' ILE . 5.4 ptm180 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.056 0.455 . . . . 15.0 110.119 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 49.7 mt-30 -139.67 -37.57 0.49 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 121.17 -0.956 . . . . 15.0 111.441 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.811 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -37.07 -41.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.807 -1.183 . . . . 15.0 110.273 -179.668 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.811 ' CD ' HD12 ' A' ' 3' ' ' ILE . 1.3 mptm? -69.97 -32.2 70.31 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.475 -0.765 . . . . 15.0 109.348 178.72 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 48.8 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.113 0.482 . . . . 15.0 110.216 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.738 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 18.0 mt-30 -140.0 -39.84 0.44 Allowed 'General case' 0 C--N 1.307 -1.283 0 O-C-N 121.411 -0.806 . . . . 15.0 110.901 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.765 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.29 -41.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.796 -1.19 . . . . 15.0 109.939 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.78 -34.08 76.09 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 178.443 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.738 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 18.2 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.762 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.762 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.1 mt-30 -109.33 -47.58 3.38 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.8 -1.187 . . . . 15.0 110.658 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.8 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -35.75 -40.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.96 -1.088 . . . . 15.0 109.711 179.39 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.8 ' CD ' HD12 ' A' ' 3' ' ' ILE . 4.9 mptp? -67.46 -34.83 78.0 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 178.406 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.129 0.49 . . . . 15.0 110.641 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.6 mt-30 -146.81 -60.76 0.29 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.408 -0.808 . . . . 15.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.858 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.07 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.294 -0.879 . . . . 15.0 110.026 -179.335 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.8 mptp? -71.3 -38.83 71.74 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 178.031 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.111 0.482 . . . . 15.0 110.64 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.77 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.8 mt-30 -140.35 -35.85 0.49 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.249 -0.907 . . . . 15.0 110.947 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.788 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.85 -35.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 120.814 -1.179 . . . . 15.0 108.297 179.358 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' HD2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.55 -36.56 81.2 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 177.627 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.77 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.596 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.763 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.983 0.42 . . . . 15.0 110.722 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.769 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 34.2 mt-30 -141.01 -35.3 0.48 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.168 -0.958 . . . . 15.0 111.103 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.794 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.81 -35.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 O-C-N 120.671 -1.268 . . . . 15.0 108.507 179.541 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HD2' HG12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -68.18 -35.91 78.77 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 177.632 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.769 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.775 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.593 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.775 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . 9.5 ptp85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.064 0.459 . . . . 15.0 110.109 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.772 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.6 mt-30 -142.82 -34.16 0.44 Allowed 'General case' 0 C--N 1.307 -1.248 0 O-C-N 121.269 -0.894 . . . . 15.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.777 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.53 -36.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 120.602 -1.311 . . . . 15.0 108.863 179.871 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.777 ' HD2' HG12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -68.75 -34.45 75.61 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.54 -0.725 . . . . 15.0 109.229 177.726 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 45.5 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.6 t-20 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.026 0.441 . . . . 15.0 110.425 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.554 ' CA ' HG12 ' A' ' 5' ' ' ILE . 37.2 mt-30 -149.39 -55.52 0.18 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.395 -0.816 . . . . 15.0 111.169 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.813 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -45.37 -41.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 O-C-N 121.265 -0.897 . . . . 15.0 108.977 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HD2' HG12 ' A' ' 3' ' ' ILE . 4.3 mptp? -71.28 -41.6 69.8 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 176.735 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.597 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.079 0.466 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ILE . 16.8 mt-30 -147.49 -60.13 0.27 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.285 -0.884 . . . . 15.0 111.294 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.874 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.08 -48.07 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.401 -0.812 . . . . 15.0 110.247 -179.022 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.874 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.2 mptp? -71.23 -39.08 71.92 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 178.138 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.557 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 3.8 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.043 0.449 . . . . 15.0 110.763 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.719 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 52.3 mt-30 -136.42 -44.12 0.61 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.209 -0.932 . . . . 15.0 110.658 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.734 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.51 -40.7 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.929 -1.107 . . . . 15.0 109.639 179.646 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.22 -35.58 79.89 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 178.35 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.719 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.54 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.18 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.207 -1.164 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.644 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.818 ' O ' ' HG3' ' A' ' 12' ' ' MET . 16.3 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.719 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.818 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.821 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.7 mptp? . . . . . 0 C--O 1.205 -1.241 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.55 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.738 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.819 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.825 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.825 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.208 -1.13 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.751 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.6 mptt . . . . . 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.742 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.206 -1.236 0 N-CA-C 109.248 -0.649 . . . . 15.0 109.248 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.612 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.202 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.828 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.761 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.185 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.7 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.572 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm . . . . . 0 C--O 1.206 -1.196 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.873 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.771 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.873 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.753 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.208 -1.131 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 13.7 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.6 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.733 ' O ' ' N ' ' A' ' 8' ' ' GLN . 5.2 mptp? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.1 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.747 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.218 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.613 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.541 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.207 -1.147 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.627 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.757 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.226 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.712 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.5 mptm? . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.638 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.553 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.777 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.197 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.8 mptp? . . . . . 0 C--O 1.207 -1.168 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.745 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.773 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? . . . . . 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.793 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.206 -1.213 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.582 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.817 ' O ' ' HG3' ' A' ' 12' ' ' MET . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.555 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.732 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.817 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.85 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.711 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.85 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.207 -1.156 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.603 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 14.1 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.754 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptp? . . . . . 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.718 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.9 mptm? . . . . . 0 C--O 1.207 -1.181 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.882 ' O ' ' HG3' ' A' ' 12' ' ' MET . 11.8 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.71 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.882 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.3 mptm? . . . . . 0 C--O 1.207 -1.158 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.9 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.206 -1.19 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 34.7 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.762 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.762 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.759 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.9 mptp? . . . . . 0 C--O 1.205 -1.248 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.653 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.765 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.8 mptp? . . . . . 0 C--O 1.206 -1.206 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.639 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.596 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.763 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.77 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.206 -1.186 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.636 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.775 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.593 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.775 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.738 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.207 -1.173 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.643 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 15.7 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 1.1 t30 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' A' ' 8' ' ' GLN . 4.3 mptp? . . . . . 0 C--O 1.207 -1.167 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.597 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.763 ' O ' ' N ' ' A' ' 8' ' ' GLN . 2.2 mptp? . . . . . 0 C--O 1.207 -1.16 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.557 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.54 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 15.5 ptm180 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.081 0.467 . . . . 15.0 110.749 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' A' ' 5' ' ' ILE . 34.9 mt-30 -149.42 -59.33 0.21 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.199 -0.938 . . . . 15.0 110.816 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.868 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.36 -46.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.462 -0.774 . . . . 15.0 109.989 -179.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.868 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.03 -39.24 69.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.314 -0.995 . . . . 15.0 108.314 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.77 -28.76 16.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 N-CA-C 108.315 -0.994 . . . . 15.0 108.315 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 21.1 m-85 -75.69 -32.93 60.31 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.814 -1.18 . . . . 15.0 107.814 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.578 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.09 -51.59 5.11 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.649 -0.871 . . . . 15.0 108.649 178.138 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.786 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -44.35 -33.36 1.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.764 -0.828 . . . . 15.0 108.764 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.2 t-20 -59.92 -9.14 2.7 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.675 0.75 . . . . 15.0 109.1 177.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -130.92 1.54 4.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.721 -0.612 . . . . 15.0 110.204 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -113.78 -51.71 2.78 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.502 -0.925 . . . . 15.0 108.502 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.53 -36.05 22.45 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 119.277 -0.969 . . . . 15.0 108.962 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.21 -13.93 61.66 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.398 -1.334 . . . . 15.0 107.398 177.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.1 -15.73 59.45 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 115.517 -0.765 . . . . 15.0 109.091 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.94 7.69 2.27 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.538 0.685 . . . . 15.0 109.533 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.421 0 CA-C-O 118.013 -0.994 . . . . 15.0 111.014 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 120.999 0.428 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 22.6 mt-30 -135.27 -40.96 0.73 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.287 -0.883 . . . . 15.0 110.738 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.715 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.29 -40.9 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.872 -1.142 . . . . 15.0 109.574 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.792 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.134 -0.691 . . . . 15.0 109.134 178.417 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.59 -30.89 11.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 107.771 -1.196 . . . . 15.0 107.771 178.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -75.55 -35.73 60.6 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.333 -0.988 . . . . 15.0 108.333 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.1 -42.85 12.1 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.754 -0.832 . . . . 15.0 108.754 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.818 ' O ' ' HG3' ' A' ' 12' ' ' MET . 16.3 mt-30 -54.14 -39.36 66.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.426 -0.953 . . . . 15.0 108.426 178.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.549 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t30 -60.57 -10.42 5.12 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.513 -0.742 . . . . 15.0 109.305 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -132.7 8.19 4.16 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.654 -0.654 . . . . 15.0 110.532 -179.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.719 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.11 -37.42 2.95 Favored 'General case' 0 C--N 1.311 -1.097 0 O-C-N 120.977 -1.077 . . . . 15.0 109.099 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.818 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -100.81 -34.25 9.9 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.866 -1.161 . . . . 15.0 107.866 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.6 mmmt -72.53 -14.21 61.59 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 106.762 -1.57 . . . . 15.0 106.762 176.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -16.31 60.58 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.274 -0.875 . . . . 15.0 108.808 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.06 8.62 2.29 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 121.481 0.658 . . . . 15.0 109.656 179.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.997 -1.001 . . . . 15.0 110.798 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.903 0.382 . . . . 15.0 110.977 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.9 mt-30 -149.27 -60.48 0.22 Allowed 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.986 . . . . 15.0 110.966 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.867 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.17 -47.63 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.422 -0.799 . . . . 15.0 109.883 -179.361 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.867 ' CD ' HD12 ' A' ' 3' ' ' ILE . 4.7 mptp? -70.26 -40.17 74.53 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.134 -1.062 . . . . 15.0 108.134 177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.61 -28.55 12.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 108.053 -1.091 . . . . 15.0 108.053 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.33 -35.18 55.02 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -89.52 -42.86 11.21 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.92 -0.77 . . . . 15.0 108.92 178.501 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.821 ' N ' ' O ' ' A' ' 4' ' ' LYS . 50.1 mt-30 -54.44 -38.53 66.42 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.192 -1.04 . . . . 15.0 108.192 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.55 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 57.6 t30 -60.84 -10.88 6.22 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.611 0.72 . . . . 15.0 109.255 177.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.48 7.71 4.2 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.664 -0.648 . . . . 15.0 110.681 -179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.738 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.8 -36.67 3.25 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 120.982 -1.074 . . . . 15.0 108.952 -179.645 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.819 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -101.81 -34.37 9.44 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.786 -1.19 . . . . 15.0 107.786 178.331 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.04 -14.3 61.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.825 -1.546 . . . . 15.0 106.825 176.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.381 -0.827 . . . . 15.0 108.837 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.2 8.54 2.26 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 121.499 0.666 . . . . 15.0 109.691 179.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.009 -0.996 . . . . 15.0 110.933 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.002 0.43 . . . . 15.0 110.694 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.56 ' CA ' HG12 ' A' ' 5' ' ' ILE . 33.0 mt-30 -150.26 -54.83 0.16 Allowed 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.13 -0.981 . . . . 15.0 111.188 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.792 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -44.96 -41.47 2.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 O-C-N 121.297 -0.877 . . . . 15.0 109.175 -179.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.803 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.5 mptm? -72.73 -41.45 65.16 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.956 -1.127 . . . . 15.0 107.956 176.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.621 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.8 mm -52.39 -28.19 11.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 N-CA-C 108.375 -0.972 . . . . 15.0 108.375 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.16 -35.55 48.71 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.988 -1.115 . . . . 15.0 107.988 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -88.09 -43.36 11.74 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.904 -0.776 . . . . 15.0 108.904 178.371 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.825 ' O ' ' HG3' ' A' ' 12' ' ' MET . 46.4 mt-30 -53.43 -38.5 63.57 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.353 -0.98 . . . . 15.0 108.353 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 23.1 t-20 -60.65 -10.94 5.94 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.494 -0.754 . . . . 15.0 109.246 177.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.81 8.33 4.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.707 -0.621 . . . . 15.0 110.525 -179.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.45 -37.02 2.97 Favored 'General case' 0 C--N 1.31 -1.143 0 O-C-N 121.01 -1.056 . . . . 15.0 109.152 -179.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.825 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -100.81 -34.28 9.88 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.901 -1.148 . . . . 15.0 107.901 178.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.38 -14.25 61.67 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 106.805 -1.554 . . . . 15.0 106.805 176.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -16.54 60.56 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.345 -0.843 . . . . 15.0 108.946 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.07 8.64 2.29 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 121.486 0.66 . . . . 15.0 109.632 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.436 0 CA-C-O 118.024 -0.988 . . . . 15.0 110.85 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.236 0.541 . . . . 15.0 110.177 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.735 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 55.1 mt-30 -137.34 -40.6 0.58 Allowed 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.305 -0.872 . . . . 15.0 110.625 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.705 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.94 -41.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.853 -1.154 . . . . 15.0 109.626 179.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.785 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.3 -35.09 78.75 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 178.435 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.735 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.32 -31.24 11.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -73.65 -36.54 65.39 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.279 -1.008 . . . . 15.0 108.279 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -46.22 9.36 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.883 -0.784 . . . . 15.0 108.883 178.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.785 ' N ' ' O ' ' A' ' 4' ' ' LYS . 68.0 mt-30 -51.05 -36.77 41.61 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.688 -0.856 . . . . 15.0 108.688 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.3 t-20 -59.85 -9.25 2.73 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.525 -0.735 . . . . 15.0 109.121 177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.41 5.62 4.4 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 121.727 -0.608 . . . . 15.0 110.562 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.97 -37.48 3.22 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.9 -1.125 . . . . 15.0 109.188 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -100.99 -34.03 9.93 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.915 -1.143 . . . . 15.0 107.915 178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.74 -14.32 61.52 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.925 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -140.57 8.31 2.17 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 121.446 0.641 . . . . 15.0 109.694 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.418 0 CA-C-O 118.029 -0.986 . . . . 15.0 110.87 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 120.99 0.424 . . . . 15.0 110.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.576 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 40.7 mt-30 -150.27 -56.55 0.17 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.208 -0.933 . . . . 15.0 110.844 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.816 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.44 -41.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 O-C-N 121.201 -0.937 . . . . 15.0 108.713 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.816 ' HD2' HG12 ' A' ' 3' ' ' ILE . 2.6 mptt -69.72 -41.45 75.33 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 107.815 -1.18 . . . . 15.0 107.815 176.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -53.65 -28.06 15.77 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.247 -1.019 . . . . 15.0 108.247 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -73.12 -34.63 66.25 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.785 -1.191 . . . . 15.0 107.785 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.25 -53.5 4.21 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.692 -0.855 . . . . 15.0 108.692 178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.751 ' N ' ' O ' ' A' ' 4' ' ' LYS . 25.2 mt-30 -44.34 -32.49 1.34 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.826 -0.805 . . . . 15.0 108.826 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.565 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.7 t30 -59.73 -9.77 3.1 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.656 0.741 . . . . 15.0 109.131 177.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.99 2.18 4.8 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.731 -0.606 . . . . 15.0 110.118 -179.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -115.74 -50.84 2.69 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 108.699 -0.852 . . . . 15.0 108.699 -178.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.9 -36.4 19.94 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 119.172 -1.011 . . . . 15.0 108.9 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.317 -1.364 . . . . 15.0 107.317 176.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -15.69 60.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.374 -0.83 . . . . 15.0 108.977 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.7 8.4 2.15 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.492 0.663 . . . . 15.0 109.627 179.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 117.954 -1.022 . . . . 15.0 110.936 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.707 ' HD3' HD11 ' A' ' 3' ' ' ILE . 11.8 ptm180 . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.999 -0.371 . . . . 15.0 109.999 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 5' ' ' ILE . 66.6 mt-30 -126.56 -47.31 1.57 Allowed 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.498 -1.376 . . . . 15.0 111.448 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.802 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -34.37 -42.37 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.764 -1.21 . . . . 15.0 110.423 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -67.84 -33.09 74.1 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 119.878 -0.729 . . . . 15.0 109.248 178.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.709 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.12 -31.84 14.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 107.831 -1.174 . . . . 15.0 107.831 178.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.19 -37.82 75.21 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.2 -53.49 4.82 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 109.023 -0.732 . . . . 15.0 109.023 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.742 ' N ' ' O ' ' A' ' 4' ' ' LYS . 52.8 mt-30 -43.79 -34.04 1.46 Allowed 'General case' 0 N--CA 1.492 1.626 0 CA-C-O 121.721 0.772 . . . . 15.0 108.93 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.7 t30 -58.53 -10.64 2.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.492 -0.755 . . . . 15.0 109.139 177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 7' ' ' PHE . 8.3 mmt85 -127.95 1.26 5.96 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.664 -0.648 . . . . 15.0 110.294 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -114.95 -47.45 2.87 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.961 0.886 . . . . 15.0 108.776 -178.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.612 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -89.11 -32.69 17.4 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.184 -1.006 . . . . 15.0 108.948 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 3.5 mmmt -79.24 -8.29 58.92 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.634 -1.247 . . . . 15.0 107.634 177.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.73 -19.46 48.75 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 121.471 0.653 . . . . 15.0 109.554 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -138.75 9.67 2.63 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.65 0.738 . . . . 15.0 109.191 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.357 0 CA-C-O 117.988 -1.006 . . . . 15.0 110.973 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 7.1 ptp85 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.033 0.444 . . . . 15.0 110.701 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.712 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.9 mt-30 -137.76 -37.23 0.6 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.221 -0.924 . . . . 15.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.716 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -45.99 -35.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 O-C-N 120.871 -1.143 . . . . 15.0 108.407 179.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -69.21 -36.33 77.15 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.295 -0.631 . . . . 15.0 109.295 177.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.712 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.55 -30.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.885 -1.154 . . . . 15.0 107.885 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 23.6 m-85 -77.61 -38.57 47.79 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.434 -0.95 . . . . 15.0 108.434 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -85.28 -43.25 13.9 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.847 -0.797 . . . . 15.0 108.847 178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.833 ' N ' ' O ' ' A' ' 4' ' ' LYS . 27.9 mt-30 -54.01 -39.41 66.08 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.506 -0.924 . . . . 15.0 108.506 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 15.2 t-20 -60.86 -11.11 6.79 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.527 -0.733 . . . . 15.0 109.308 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -131.84 10.48 4.66 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.706 -0.622 . . . . 15.0 110.512 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.714 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -124.19 -37.2 2.58 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 121.018 -1.051 . . . . 15.0 109.196 -179.621 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.828 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.94 -33.39 10.21 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.862 -1.162 . . . . 15.0 107.862 178.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.36 -13.49 61.11 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.001 -1.481 . . . . 15.0 107.001 176.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -75.97 -16.19 60.03 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.343 -0.844 . . . . 15.0 108.865 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.2 ptmt -139.84 7.56 2.29 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.511 0.672 . . . . 15.0 109.733 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.424 0 CA-C-O 118.007 -0.997 . . . . 15.0 111.022 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 2.5 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 120.983 0.42 . . . . 15.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.552 ' CA ' HG12 ' A' ' 5' ' ' ILE . 12.3 mt-30 -148.46 -60.12 0.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.251 -0.906 . . . . 15.0 111.203 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.862 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -38.51 -46.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.35 -0.844 . . . . 15.0 109.892 -179.226 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.862 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -70.49 -40.23 73.72 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 108.077 -1.083 . . . . 15.0 108.077 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.609 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -53.53 -28.7 16.14 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 N-CA-C 108.072 -1.084 . . . . 15.0 108.072 178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -73.56 -34.4 65.14 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.803 -1.184 . . . . 15.0 107.803 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.62 -52.33 4.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 178.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.761 ' N ' ' O ' ' A' ' 4' ' ' LYS . 14.7 mt-30 -45.2 -32.67 1.97 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.734 -0.839 . . . . 15.0 108.734 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.574 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 45.9 t30 -59.71 -9.55 2.86 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.504 -0.747 . . . . 15.0 109.095 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 7' ' ' PHE . 12.3 mmm-85 -129.97 1.78 4.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.705 -0.622 . . . . 15.0 110.19 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -113.69 -51.07 2.81 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.488 -0.93 . . . . 15.0 108.488 -179.112 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.572 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 6.2 ptp -85.76 -35.55 20.69 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 119.504 -0.878 . . . . 15.0 108.842 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -73.76 -11.9 60.54 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.382 -1.34 . . . . 15.0 107.382 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.77 -15.66 58.95 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.707 0.765 . . . . 15.0 108.952 179.016 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 1.5 ptmt -138.74 6.6 2.47 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 121.484 0.659 . . . . 15.0 109.633 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.963 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.853 0.359 . . . . 15.0 110.668 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.692 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 67.6 mt-30 -122.07 -42.57 2.37 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.137 -0.977 . . . . 15.0 110.696 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER -38.31 -40.18 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.002 -1.061 . . . . 15.0 109.468 179.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' O ' ' N ' ' A' ' 8' ' ' GLN . 24.7 mmmt -68.41 -35.51 77.76 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.171 -0.677 . . . . 15.0 109.171 178.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.692 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -52.22 -30.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 107.722 -1.214 . . . . 15.0 107.722 179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -37.99 69.65 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.068 -1.086 . . . . 15.0 108.068 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -89.62 -52.98 4.73 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.9 mt-30 -43.83 -34.86 1.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.691 -0.855 . . . . 15.0 108.691 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.572 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 51.3 t30 -59.65 -9.92 3.13 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.746 0.784 . . . . 15.0 109.064 177.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.87 2.34 5.37 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.789 -0.569 . . . . 15.0 110.081 -179.374 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.508 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -117.48 -50.68 2.53 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.304 -0.873 . . . . 15.0 108.847 -179.227 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' LYS . 4.9 ptp -84.39 -35.75 22.92 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.224 -0.99 . . . . 15.0 108.776 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.572 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.49 -12.78 61.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -74.52 -17.21 60.78 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.873 0.844 . . . . 15.0 108.991 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' O ' ' OXT' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -137.27 -34.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 109.435 -0.58 . . . . 15.0 109.435 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HD3' ' O ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 114.234 1.198 . . . . 15.0 114.234 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 17.1 ptm180 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 120.993 0.425 . . . . 15.0 110.847 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.57 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.2 mt-30 -147.74 -58.26 0.25 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.249 -0.907 . . . . 15.0 110.845 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.504 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.9 -46.11 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 15.0 109.753 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.1 mmmm -71.7 -41.4 68.66 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.168 -1.049 . . . . 15.0 108.168 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.69 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.6 mm -53.71 -27.86 15.72 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 108.232 -1.025 . . . . 15.0 108.232 178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.85 -35.05 51.5 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -90.8 -50.86 5.66 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.287 -1.005 . . . . 15.0 108.287 178.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.873 ' O ' ' HG3' ' A' ' 12' ' ' MET . 31.9 mt-30 -46.2 -32.29 2.93 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.741 0.781 . . . . 15.0 108.989 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 20.0 t-20 -70.55 -7.66 45.49 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.305 -0.872 . . . . 15.0 109.67 178.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 1.3 mmt85 -134.62 0.96 3.05 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.506 -0.746 . . . . 15.0 110.981 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.771 ' CG ' ' HA ' ' A' ' 8' ' ' GLN . 1.9 ptm180 -115.46 -36.23 4.35 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 120.928 -1.108 . . . . 15.0 109.915 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.873 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -101.69 -34.64 9.39 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 107.734 -1.21 . . . . 15.0 107.734 178.301 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.784 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 4.5 mmmt -71.71 -15.69 62.21 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 106.699 -1.593 . . . . 15.0 106.699 176.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -17.2 61.23 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 115.096 -0.956 . . . . 15.0 108.831 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -140.43 9.27 2.25 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.473 0.654 . . . . 15.0 109.763 179.263 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.43 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.927 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.967 -0.383 . . . . 15.0 109.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.576 ' CA ' HG12 ' A' ' 5' ' ' ILE . 48.7 mt-30 -146.04 -60.11 0.32 Allowed 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.905 -1.122 . . . . 15.0 111.515 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.878 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.64 -48.67 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.287 -0.883 . . . . 15.0 110.478 -178.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.878 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -71.74 -38.42 70.44 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.176 -1.046 . . . . 15.0 108.176 178.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.52 -29.08 16.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.038 -1.097 . . . . 15.0 108.038 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -34.83 69.25 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.699 -1.223 . . . . 15.0 107.699 177.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.61 -52.96 4.51 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.792 -0.818 . . . . 15.0 108.792 178.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 4' ' ' LYS . 13.7 mt-30 -44.53 -34.1 1.98 Allowed 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.617 -0.883 . . . . 15.0 108.617 178.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.3 t30 -59.82 -10.57 4.02 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.727 0.775 . . . . 15.0 109.125 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.96 1.7 5.95 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.783 -0.573 . . . . 15.0 110.048 -179.412 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -115.36 -48.1 2.81 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.262 -0.899 . . . . 15.0 108.783 -179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.6 ' HA ' ' HD2' ' A' ' 15' ' ' LYS . 4.7 ptm -89.17 -31.92 17.72 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 119.246 -0.982 . . . . 15.0 108.998 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.6 mmmt -79.95 -8.23 59.22 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.609 -1.256 . . . . 15.0 107.609 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -78.78 -19.68 51.63 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.7 -0.682 . . . . 15.0 109.541 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.11 6.66 3.36 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 119.829 -0.748 . . . . 15.0 109.248 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.378 0 CA-C-O 117.992 -1.004 . . . . 15.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.6 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.125 0.488 . . . . 15.0 110.53 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.762 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.5 mt-30 -137.9 -36.35 0.62 Allowed 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.334 -0.853 . . . . 15.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.766 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.26 -35.56 3.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 120.782 -1.199 . . . . 15.0 108.201 179.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.766 ' HD2' HG12 ' A' ' 3' ' ' ILE . 5.2 mptp? -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.762 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.52 -30.48 11.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 107.91 -1.144 . . . . 15.0 107.91 179.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.73 69.62 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.93 -1.137 . . . . 15.0 107.93 178.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.629 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.55 -52.5 5.31 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.733 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.1 mt-30 -43.77 -35.33 1.84 Allowed 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.682 -0.858 . . . . 15.0 108.682 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 12.0 t30 -59.32 -10.32 2.97 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.676 0.751 . . . . 15.0 109.163 177.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -128.46 1.84 5.63 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.82 -0.55 . . . . 15.0 110.086 -179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -116.19 -49.51 2.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.225 -0.922 . . . . 15.0 108.663 -179.294 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 5.6 ptp -86.36 -32.37 21.01 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 119.213 -0.995 . . . . 15.0 108.907 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -78.68 -7.64 57.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 177.007 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.38 -22.33 51.85 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 121.69 0.757 . . . . 15.0 109.262 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -135.19 6.39 3.33 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.702 0.763 . . . . 15.0 109.303 -179.71 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.432 0 CA-C-O 118.066 -0.969 . . . . 15.0 111.047 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.82 0.343 . . . . 15.0 110.733 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.557 ' O ' ' N ' ' A' ' 5' ' ' ILE . 30.5 mt-30 -148.49 -61.49 0.24 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.217 -0.927 . . . . 15.0 111.092 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.867 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.66 -47.25 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.444 -0.785 . . . . 15.0 109.857 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.867 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -70.45 -40.9 73.46 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.121 -1.066 . . . . 15.0 108.121 177.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.44 -28.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 108.044 -1.095 . . . . 15.0 108.044 178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -34.3 65.95 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -92.53 -47.39 7.16 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.948 -0.76 . . . . 15.0 108.948 178.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 57.3 mt-30 -51.65 -33.51 33.92 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.275 -1.009 . . . . 15.0 108.275 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 40.0 t30 -58.05 -10.79 2.02 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.782 -0.821 . . . . 15.0 108.782 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.36 4.02 6.3 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.824 -0.547 . . . . 15.0 110.454 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.2 -36.75 3.69 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.019 -1.051 . . . . 15.0 109.127 -179.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.747 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -101.4 -28.54 12.53 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.473 -0.936 . . . . 15.0 108.473 178.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -84.27 -5.58 59.28 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 107.181 -1.415 . . . . 15.0 107.181 176.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -80.62 -19.82 44.58 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.477 -0.783 . . . . 15.0 109.496 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -133.15 5.44 3.82 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.685 0.755 . . . . 15.0 109.188 179.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.997 -1.002 . . . . 15.0 111.05 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.552 ' CG ' HD11 ' A' ' 5' ' ' ILE . 5.9 ptm180 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 121.034 0.445 . . . . 15.0 110.161 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.558 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.0 mt-30 -148.32 -60.14 0.24 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.409 -0.807 . . . . 15.0 111.116 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.871 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -37.6 -47.54 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 15.0 110.054 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.871 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -71.19 -39.99 71.48 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.144 -1.058 . . . . 15.0 108.144 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.613 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -53.19 -28.83 15.19 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.784 0 N-CA-C 108.224 -1.028 . . . . 15.0 108.224 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 1.0 OUTLIER -73.57 -33.31 64.59 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.744 -1.206 . . . . 15.0 107.744 177.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.537 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.04 -52.06 4.76 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.743 -0.836 . . . . 15.0 108.743 178.195 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.769 ' N ' ' O ' ' A' ' 4' ' ' LYS . 65.3 mt-30 -45.29 -32.58 2.04 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.543 -0.91 . . . . 15.0 108.543 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 11.5 t-20 -58.75 -10.37 2.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.515 -0.74 . . . . 15.0 109.114 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.4 mmm-85 -128.68 0.82 5.49 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.756 -0.59 . . . . 15.0 110.167 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -114.11 -50.79 2.8 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 108.607 -0.886 . . . . 15.0 108.607 -179.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.592 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.1 ptt? -84.4 -36.04 22.7 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.274 -0.97 . . . . 15.0 108.899 179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.541 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.8 mmmt -72.95 -13.68 61.3 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.554 -1.276 . . . . 15.0 107.554 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -15.84 59.32 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.454 -0.793 . . . . 15.0 108.894 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.73 8.29 2.35 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 121.582 0.706 . . . . 15.0 109.607 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.945 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.136 0.493 . . . . 15.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 31.2 mt-30 -137.96 -42.55 0.52 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.352 -0.843 . . . . 15.0 110.611 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.06 -40.68 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.035 -1.041 . . . . 15.0 109.638 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -67.39 -35.11 78.66 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.345 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.6 -31.21 12.3 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 107.969 -1.122 . . . . 15.0 107.969 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.72 -36.5 67.81 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 107.982 -1.118 . . . . 15.0 107.982 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -88.37 -52.16 5.35 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.715 -0.846 . . . . 15.0 108.715 178.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.764 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.2 mt-30 -43.67 -34.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.854 -0.795 . . . . 15.0 108.854 178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 25.6 t-20 -58.08 -10.29 1.81 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.747 0.784 . . . . 15.0 109.162 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mmt85 -128.92 1.21 5.33 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.729 -0.607 . . . . 15.0 110.275 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.19 -49.0 2.79 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.98 0.895 . . . . 15.0 108.807 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.627 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 4.9 ptp -86.93 -32.53 20.1 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.26 -0.976 . . . . 15.0 108.783 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.4 mmmt -78.1 -8.09 57.8 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.614 -1.254 . . . . 15.0 107.614 177.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -76.8 -22.61 53.43 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-O 121.713 0.768 . . . . 15.0 109.274 179.499 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.627 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -136.2 6.98 3.11 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.639 0.733 . . . . 15.0 109.344 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.36 0 CA-C-O 117.946 -1.026 . . . . 15.0 111.119 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.072 0.463 . . . . 15.0 110.453 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.8 mt-30 -140.2 -42.28 0.42 Allowed 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.297 -0.877 . . . . 15.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.714 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -37.82 -40.8 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.014 -1.054 . . . . 15.0 109.64 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.778 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -67.51 -35.93 80.06 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.251 -0.648 . . . . 15.0 109.251 178.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.51 -31.5 9.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 N-CA-C 107.671 -1.233 . . . . 15.0 107.671 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -72.5 -36.95 68.52 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.118 -1.068 . . . . 15.0 108.118 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -88.08 -45.66 9.97 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.065 -0.717 . . . . 15.0 109.065 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.778 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.2 mt-30 -51.91 -35.14 44.47 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.612 -0.884 . . . . 15.0 108.612 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 62.6 t-20 -59.47 -9.53 2.54 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.763 -0.828 . . . . 15.0 108.763 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' PHE . 2.9 mmt85 -129.56 6.3 5.2 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.823 -0.548 . . . . 15.0 110.369 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.757 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.42 -37.54 3.15 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 120.968 -1.083 . . . . 15.0 108.892 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.757 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -100.56 -33.3 10.37 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 178.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.9 mmmt -74.07 -13.68 60.88 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 106.936 -1.505 . . . . 15.0 106.936 176.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -16.85 60.29 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.272 -0.876 . . . . 15.0 108.83 179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.1 9.37 2.32 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.525 0.678 . . . . 15.0 109.699 179.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.415 0 CA-C-O 117.98 -1.009 . . . . 15.0 110.881 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.43 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 9.5 ptp85 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 110.085 -0.339 . . . . 15.0 110.085 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.592 ' CA ' HG12 ' A' ' 5' ' ' ILE . 41.0 mt-30 -145.42 -59.8 0.34 Allowed 'General case' 0 N--CA 1.484 1.254 0 O-C-N 120.921 -1.112 . . . . 15.0 111.246 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.884 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.1 -48.44 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.39 -0.819 . . . . 15.0 110.309 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.884 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -70.66 -39.52 73.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.164 -1.05 . . . . 15.0 108.164 177.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -52.54 -28.77 12.73 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 108.051 -1.092 . . . . 15.0 108.051 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.25 -34.51 55.8 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.085 -1.08 . . . . 15.0 108.085 177.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -89.93 -43.11 10.8 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.905 -0.776 . . . . 15.0 108.905 178.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 57.3 mt-30 -53.94 -38.66 65.16 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.304 -0.999 . . . . 15.0 108.304 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -61.13 -10.7 6.8 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.672 0.748 . . . . 15.0 109.37 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.93 7.14 4.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.642 -0.661 . . . . 15.0 110.607 -179.098 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.712 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.52 -36.54 3.32 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 120.899 -1.126 . . . . 15.0 109.082 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -101.46 -34.44 9.57 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -73.07 -15.5 61.5 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 106.997 -1.483 . . . . 15.0 106.997 176.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -17.81 61.02 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 108.772 -0.825 . . . . 15.0 108.772 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.32 10.37 2.31 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.536 0.684 . . . . 15.0 109.716 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 117.977 -1.011 . . . . 15.0 110.957 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.162 0.506 . . . . 15.0 110.167 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.726 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 36.5 mt-30 -143.91 -42.02 0.27 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.3 -0.875 . . . . 15.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.765 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.76 -41.95 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.902 -1.124 . . . . 15.0 110.1 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.765 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.5 mptm? -68.16 -34.14 75.76 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.653 -0.654 . . . . 15.0 109.35 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.726 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.22 -31.67 11.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.592 0 N-CA-C 107.731 -1.211 . . . . 15.0 107.731 178.407 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.56 -39.01 74.2 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 107.856 -1.164 . . . . 15.0 107.856 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.616 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.81 -51.93 5.79 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.897 -0.779 . . . . 15.0 108.897 178.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 73.0 mt-30 -44.71 -34.59 2.3 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.634 -0.876 . . . . 15.0 108.634 178.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 54.8 t30 -59.14 -10.21 2.6 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.744 0.783 . . . . 15.0 108.989 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.616 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.9 0.29 5.98 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.852 -0.53 . . . . 15.0 110.053 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.75 -51.45 2.74 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.242 -0.911 . . . . 15.0 108.733 -179.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 3.0 ptt? -83.0 -36.16 25.26 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.216 -0.994 . . . . 15.0 109.142 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.553 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.51 -13.99 61.14 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 177.34 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.25 -15.99 59.22 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 115.51 -0.768 . . . . 15.0 108.928 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -139.86 8.06 2.31 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.488 0.661 . . . . 15.0 109.552 179.14 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.476 0 CA-C-O 118.008 -0.996 . . . . 15.0 110.993 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.0 ptm180 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.998 0.428 . . . . 15.0 110.707 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.555 ' O ' ' N ' ' A' ' 5' ' ' ILE . 13.7 mt-30 -148.56 -60.08 0.24 Allowed 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.289 -0.882 . . . . 15.0 110.974 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.873 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.19 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.479 -0.763 . . . . 15.0 109.934 -179.392 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.873 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -70.46 -40.12 73.88 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.114 -1.069 . . . . 15.0 108.114 177.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.619 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -53.4 -28.5 15.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 -35.38 64.91 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 107.778 -1.193 . . . . 15.0 107.778 177.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -91.32 -52.28 4.88 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.653 -0.869 . . . . 15.0 108.653 178.285 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 4' ' ' LYS . 60.8 mt-30 -43.97 -34.69 1.78 Allowed 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.584 -0.895 . . . . 15.0 108.584 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.1 t-20 -59.84 -9.77 3.25 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.698 0.761 . . . . 15.0 109.106 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.37 0.89 4.57 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.821 -0.549 . . . . 15.0 110.182 -179.321 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.538 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -114.06 -51.36 2.78 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.212 -0.93 . . . . 15.0 108.511 -179.58 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptp -84.64 -36.31 22.06 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.235 -0.986 . . . . 15.0 108.944 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -72.59 -13.86 61.48 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.495 -1.298 . . . . 15.0 107.495 177.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -16.06 59.6 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.928 -0.767 . . . . 15.0 108.928 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.1 ptmt -139.79 8.98 2.37 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.57 0.7 . . . . 15.0 109.598 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.402 0 CA-C-O 118.019 -0.991 . . . . 15.0 110.902 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.6 ptp85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.133 0.492 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' CA ' HG12 ' A' ' 5' ' ' ILE . 25.0 mt-30 -149.19 -60.26 0.22 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.292 -0.88 . . . . 15.0 111.022 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.63 -47.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.837 . . . . 15.0 110.023 -179.314 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.865 ' CD ' HD12 ' A' ' 3' ' ' ILE . 3.8 mptp? -70.94 -40.16 72.21 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.103 -1.073 . . . . 15.0 108.103 177.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.589 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.97 -28.71 14.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 178.238 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -34.77 61.25 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.894 -1.15 . . . . 15.0 107.894 177.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -90.34 -46.14 8.58 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.802 ' N ' ' O ' ' A' ' 4' ' ' LYS . 26.6 mt-30 -52.95 -36.04 59.48 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 108.436 -0.95 . . . . 15.0 108.436 178.378 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.577 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 24.8 t-20 -60.79 -9.06 3.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.56 -0.713 . . . . 15.0 109.135 177.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.67 5.52 4.31 Favored 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.734 -0.604 . . . . 15.0 110.628 -179.026 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.745 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.73 -37.34 3.47 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 121.023 -1.048 . . . . 15.0 108.995 -179.067 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.773 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.1 ptp -101.47 -34.37 9.59 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.858 -1.164 . . . . 15.0 107.858 178.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.99 -14.73 61.49 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 106.823 -1.547 . . . . 15.0 106.823 176.423 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -16.86 60.92 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.73 9.39 2.19 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.606 -0.684 . . . . 15.0 109.665 179.376 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.425 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.908 -179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.403 ' CG ' ' N ' ' A' ' 2' ' ' GLN . 11.6 ptm180 . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 121.308 0.575 . . . . 15.0 110.451 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.76 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 33.4 mt-30 -137.83 -35.78 0.64 Allowed 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.295 -0.878 . . . . 15.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.792 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -47.32 -35.57 3.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.318 0 O-C-N 120.695 -1.253 . . . . 15.0 108.182 179.306 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 mptp? -67.41 -37.09 82.52 Favored 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 109.02 -0.733 . . . . 15.0 109.02 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.8 -30.39 8.59 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 N-CA-C 108.1 -1.074 . . . . 15.0 108.1 179.346 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.58 -37.89 49.5 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.312 -0.995 . . . . 15.0 108.312 178.323 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -85.47 -42.83 14.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.684 -0.858 . . . . 15.0 108.684 178.592 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.844 ' O ' ' HG3' ' A' ' 12' ' ' MET . 59.0 mt-30 -52.49 -39.49 61.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 178.307 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.5 t-20 -62.74 -10.61 13.39 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.426 -0.796 . . . . 15.0 109.477 178.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.16 8.07 3.71 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.673 -0.642 . . . . 15.0 110.723 -179.161 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.62 -35.62 3.2 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 120.918 -1.114 . . . . 15.0 109.595 -179.517 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.844 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.2 ptp -102.82 -33.95 9.17 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 107.79 -1.189 . . . . 15.0 107.79 178.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.63 -14.63 61.64 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.779 -1.563 . . . . 15.0 106.779 176.378 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.09 -16.35 60.57 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.296 -0.865 . . . . 15.0 108.908 179.25 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -140.4 9.19 2.25 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.501 0.667 . . . . 15.0 109.581 179.354 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.46 0 CA-C-O 118.038 -0.982 . . . . 15.0 110.853 -179.337 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 121.001 0.429 . . . . 15.0 110.624 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.583 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 15.6 mt-30 -149.07 -60.82 0.23 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.211 -0.93 . . . . 15.0 110.604 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.855 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -39.01 -47.0 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.345 -0.847 . . . . 15.0 109.686 -179.545 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.855 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -69.34 -40.67 77.42 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 108.116 -1.068 . . . . 15.0 108.116 177.833 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 3.1 mm -52.14 -28.64 11.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.023 -1.103 . . . . 15.0 108.023 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -75.78 -36.56 59.75 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 107.978 -1.119 . . . . 15.0 107.978 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.36 -44.1 11.02 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.012 -0.736 . . . . 15.0 109.012 178.545 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.817 ' O ' ' HG3' ' A' ' 12' ' ' MET . 47.3 mt-30 -53.64 -37.24 62.91 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.245 -1.02 . . . . 15.0 108.245 178.463 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.555 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.0 t-20 -61.04 -10.14 5.52 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.618 0.723 . . . . 15.0 109.16 177.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.05 7.95 4.37 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.744 -0.597 . . . . 15.0 110.44 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.732 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.58 -37.38 3.03 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.968 -1.082 . . . . 15.0 109.066 -179.662 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.817 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -100.78 -34.18 9.94 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.919 -1.141 . . . . 15.0 107.919 178.44 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.29 -14.33 61.73 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.738 -1.579 . . . . 15.0 106.738 176.533 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -16.73 60.89 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.193 -0.912 . . . . 15.0 108.929 178.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.6 OUTLIER -140.55 7.38 2.13 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.46 0.647 . . . . 15.0 109.787 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.564 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.405 0 CA-C-O 118.04 -0.981 . . . . 15.0 110.924 -179.297 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.038 0.447 . . . . 15.0 110.612 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.731 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 54.0 mt-30 -137.38 -43.81 0.55 Allowed 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.272 -0.893 . . . . 15.0 110.57 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.73 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -37.7 -40.91 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.981 -1.075 . . . . 15.0 109.607 179.59 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.787 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.17 -35.61 80.03 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 109.227 -0.657 . . . . 15.0 109.227 178.351 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -50.88 -31.1 9.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.679 -1.23 . . . . 15.0 107.679 178.592 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -75.36 -38.66 59.96 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.357 -0.979 . . . . 15.0 108.357 178.199 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -85.14 -43.41 13.87 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.84 -0.8 . . . . 15.0 108.84 178.608 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.85 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.8 mt-30 -51.8 -39.03 58.02 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 178.261 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 18.0 t-20 -63.49 -10.17 16.37 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.516 -0.74 . . . . 15.0 109.549 178.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -134.74 8.67 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.588 -0.695 . . . . 15.0 110.642 -179.21 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.711 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -121.89 -35.81 3.12 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.006 -1.059 . . . . 15.0 109.555 -179.529 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.85 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -102.4 -33.88 9.38 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.711 -1.218 . . . . 15.0 107.711 178.024 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.675 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 2.0 mmmt -72.73 -14.51 61.57 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 106.809 -1.552 . . . . 15.0 106.809 176.53 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.63 60.53 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 115.261 -0.881 . . . . 15.0 108.945 179.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.25 10.16 2.32 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.53 0.681 . . . . 15.0 109.632 179.371 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.404 0 CA-C-O 117.964 -1.017 . . . . 15.0 110.879 -179.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.411 ' HG3' ' HG3' ' A' ' 2' ' ' GLN . 7.1 ptm180 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.09 0.471 . . . . 15.0 110.52 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.716 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 7.4 mt-30 -140.75 -42.37 0.4 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.203 -0.935 . . . . 15.0 110.704 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.728 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.79 -41.15 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.012 -1.055 . . . . 15.0 109.867 179.839 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.752 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -67.83 -35.23 78.24 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 109.274 -0.639 . . . . 15.0 109.274 178.515 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.716 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.76 -31.14 12.75 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 107.726 -1.213 . . . . 15.0 107.726 178.753 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.02 -38.14 72.61 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 178.073 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -87.63 -53.15 4.94 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.791 -0.818 . . . . 15.0 108.791 178.351 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.752 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.7 mt-30 -43.7 -35.64 1.9 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.827 -0.805 . . . . 15.0 108.827 178.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.8 t-20 -59.03 -10.62 2.7 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 121.719 0.771 . . . . 15.0 109.103 177.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.625 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.09 1.26 5.86 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.813 -0.554 . . . . 15.0 110.072 -179.509 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -115.53 -47.72 2.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.285 -0.884 . . . . 15.0 108.772 -179.425 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.631 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.1 ptp -88.35 -31.96 18.64 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.156 -1.017 . . . . 15.0 109.147 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.558 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -81.01 -7.46 59.56 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.72 -1.215 . . . . 15.0 107.72 177.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -81.52 -18.51 44.78 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-O 121.505 0.669 . . . . 15.0 109.665 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -137.88 9.94 2.84 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.726 0.774 . . . . 15.0 109.041 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 117.957 -1.021 . . . . 15.0 111.041 -179.562 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 5.5 ptp180 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 120.991 0.424 . . . . 15.0 110.694 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.561 ' O ' ' N ' ' A' ' 5' ' ' ILE . 36.4 mt-30 -149.5 -60.86 0.22 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.249 -0.907 . . . . 15.0 111.047 -179.733 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.888 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.93 -47.43 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.808 . . . . 15.0 109.904 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.888 ' CD ' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -70.61 -40.35 73.24 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.074 -1.084 . . . . 15.0 108.074 177.93 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.603 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.2 mm -52.46 -28.54 12.18 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.101 -1.074 . . . . 15.0 108.101 178.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.22 -35.91 55.15 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.016 -1.105 . . . . 15.0 108.016 177.764 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -88.38 -43.31 11.59 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.975 -0.75 . . . . 15.0 108.975 178.457 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.827 ' O ' ' HG3' ' A' ' 12' ' ' MET . 14.1 mt-30 -54.05 -38.75 65.56 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.327 -0.99 . . . . 15.0 108.327 178.345 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 22.2 t-20 -60.85 -10.96 6.35 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.514 -0.741 . . . . 15.0 109.247 177.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -133.01 11.3 4.25 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.729 -0.607 . . . . 15.0 110.413 -179.238 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.713 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -125.0 -37.44 2.44 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.945 -1.097 . . . . 15.0 109.141 -179.782 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.827 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.02 -33.91 10.3 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.583 -1.266 . . . . 15.0 107.583 177.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -71.53 -14.76 62.21 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 106.982 -1.488 . . . . 15.0 106.982 176.632 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -18.87 61.28 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 108.728 -0.841 . . . . 15.0 108.728 178.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -139.57 8.64 2.4 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.47 0.653 . . . . 15.0 109.826 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 117.978 -1.01 . . . . 15.0 110.935 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.143 0.497 . . . . 15.0 110.126 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.773 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 51.9 mt-30 -143.45 -35.37 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.263 -0.898 . . . . 15.0 111.306 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.769 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.57 -36.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 O-C-N 120.737 -1.227 . . . . 15.0 108.601 179.747 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.769 ' HD2' HG12 ' A' ' 3' ' ' ILE . 1.9 mptp? -67.91 -35.53 78.62 Favored 'General case' 0 C--O 1.207 -1.182 0 N-CA-C 109.086 -0.709 . . . . 15.0 109.086 177.676 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.773 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.25 -30.84 10.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 107.983 -1.117 . . . . 15.0 107.983 179.064 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -38.19 69.63 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.853 -1.165 . . . . 15.0 107.853 178.055 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.16 -52.46 5.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.759 -0.83 . . . . 15.0 108.759 178.236 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.754 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.2 mt-30 -43.56 -34.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.744 -0.836 . . . . 15.0 108.744 178.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.8 t-20 -60.36 -9.45 3.55 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.723 0.773 . . . . 15.0 109.039 177.36 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.649 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.08 1.68 4.74 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.792 -0.568 . . . . 15.0 110.116 -179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.42 -51.23 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.264 -0.898 . . . . 15.0 108.64 -179.365 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.3 ptm -84.88 -36.3 21.62 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.14 -1.024 . . . . 15.0 108.999 179.266 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.27 -14.56 62.26 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.383 -1.34 . . . . 15.0 107.383 176.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.85 -16.22 60.1 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.438 -0.801 . . . . 15.0 108.955 179.159 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.12 8.49 2.27 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-O 121.511 0.672 . . . . 15.0 109.629 179.438 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.41 0 CA-C-O 117.96 -1.019 . . . . 15.0 110.889 -179.33 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.016 0.436 . . . . 15.0 110.666 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.689 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 24.8 mt-30 -137.98 -41.31 0.53 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 121.242 -0.911 . . . . 15.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.5 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -39.11 -39.86 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.982 -1.074 . . . . 15.0 109.377 179.611 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' O ' ' N ' ' A' ' 8' ' ' GLN . 3.6 mmmt -68.11 -36.65 80.09 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.249 -0.648 . . . . 15.0 109.249 178.422 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.689 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.16 -30.76 10.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.86 0 N-CA-C 107.772 -1.196 . . . . 15.0 107.772 179.061 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -77.66 -38.11 48.37 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.49 -0.93 . . . . 15.0 108.49 178.081 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -86.65 -42.33 13.51 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 178.562 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.858 ' N ' ' O ' ' A' ' 4' ' ' LYS . 67.1 mt-30 -54.15 -39.3 66.4 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.335 -0.987 . . . . 15.0 108.335 178.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 21.0 t-20 -60.31 -10.64 4.94 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.534 -0.729 . . . . 15.0 109.199 177.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -132.22 7.58 4.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.695 -0.628 . . . . 15.0 110.54 -179.329 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.718 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.25 -37.07 3.11 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 120.819 -1.176 . . . . 15.0 109.091 -179.801 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.813 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -100.89 -34.25 9.87 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.897 -1.149 . . . . 15.0 107.897 178.326 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.62 -13.75 61.45 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.795 -1.557 . . . . 15.0 106.795 176.454 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -15.88 60.33 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.267 -0.879 . . . . 15.0 108.874 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.11 6.23 2.15 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.541 0.686 . . . . 15.0 109.74 179.512 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 CA-C-O 118.0 -1.0 . . . . 15.0 110.995 -179.365 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.015 0.436 . . . . 15.0 110.505 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.573 ' O ' ' N ' ' A' ' 5' ' ' ILE . 26.8 mt-30 -148.65 -62.31 0.24 Allowed 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.254 -0.904 . . . . 15.0 111.062 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.866 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -36.86 -47.67 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.414 -0.804 . . . . 15.0 110.03 -179.209 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.866 ' CD ' HD12 ' A' ' 3' ' ' ILE . 1.9 mptm? -69.7 -41.29 75.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.061 -1.089 . . . . 15.0 108.061 178.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.1 mm -51.86 -28.44 9.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 N-CA-C 107.854 -1.165 . . . . 15.0 107.854 178.03 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -77.43 -38.88 48.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.888 -1.153 . . . . 15.0 107.888 177.472 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -84.91 -43.52 14.0 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.979 -0.749 . . . . 15.0 108.979 178.483 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.882 ' O ' ' HG3' ' A' ' 12' ' ' MET . 11.8 mt-30 -52.47 -35.0 51.72 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 108.513 -0.921 . . . . 15.0 108.513 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 13.0 t-20 -67.14 -9.59 41.43 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.346 -0.846 . . . . 15.0 109.496 178.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -135.33 7.31 3.35 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.557 -0.715 . . . . 15.0 110.686 -179.051 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.71 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.22 -34.62 3.81 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 120.981 -1.074 . . . . 15.0 109.465 -179.383 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.882 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -104.55 -34.24 8.27 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 107.669 -1.234 . . . . 15.0 107.669 178.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -72.6 -14.85 61.71 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.672 -1.603 . . . . 15.0 106.672 176.384 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.19 -14.74 60.57 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.152 -0.931 . . . . 15.0 108.955 179.329 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.58 5.2 2.0 Allowed 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.576 0.703 . . . . 15.0 109.946 179.537 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.385 0 CA-C-O 118.112 -0.947 . . . . 15.0 111.204 -179.209 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.441 ' NE ' HD11 ' A' ' 3' ' ' ILE . 5.4 ptm180 . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.056 0.455 . . . . 15.0 110.119 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.727 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 49.7 mt-30 -139.67 -37.57 0.49 Allowed 'General case' 0 N--CA 1.483 1.209 0 O-C-N 121.17 -0.956 . . . . 15.0 111.441 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.811 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -37.07 -41.84 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 120.807 -1.183 . . . . 15.0 110.273 -179.668 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.811 ' CD ' HD12 ' A' ' 3' ' ' ILE . 1.3 mptm? -69.97 -32.2 70.31 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.475 -0.765 . . . . 15.0 109.348 178.72 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -52.4 -31.79 15.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 107.891 -1.152 . . . . 15.0 107.891 178.821 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 42.6 m-85 -74.12 -34.74 64.01 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.201 -1.037 . . . . 15.0 108.201 178.288 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.27 -46.3 9.34 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 108.787 -0.82 . . . . 15.0 108.787 178.423 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.788 ' N ' ' O ' ' A' ' 4' ' ' LYS . 16.9 mt-30 -51.56 -36.52 45.57 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.64 -0.874 . . . . 15.0 108.64 178.391 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 46.6 t30 -60.05 -9.15 2.84 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.651 0.739 . . . . 15.0 109.127 177.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 6.75 4.57 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.727 -0.608 . . . . 15.0 110.531 -179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -120.24 -37.33 3.08 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.985 -1.072 . . . . 15.0 109.236 -178.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.759 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -101.08 -33.93 9.93 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 107.968 -1.123 . . . . 15.0 107.968 178.458 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.83 -13.68 61.34 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 106.714 -1.587 . . . . 15.0 106.714 176.338 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.25 -16.34 60.47 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.271 -0.877 . . . . 15.0 108.87 179.066 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.88 7.46 2.27 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 121.532 0.682 . . . . 15.0 109.826 179.444 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.553 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.044 -0.979 . . . . 15.0 110.934 -179.353 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.113 0.482 . . . . 15.0 110.216 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.738 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 18.0 mt-30 -140.0 -39.84 0.44 Allowed 'General case' 0 C--N 1.307 -1.283 0 O-C-N 121.411 -0.806 . . . . 15.0 110.901 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.765 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.29 -41.99 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.796 -1.19 . . . . 15.0 109.939 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.772 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.78 -34.08 76.09 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.131 -0.692 . . . . 15.0 109.131 178.443 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.738 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.4 -31.64 12.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 N-CA-C 107.581 -1.266 . . . . 15.0 107.581 178.623 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.17 -37.21 69.4 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.072 -1.085 . . . . 15.0 108.072 178.221 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -87.02 -46.77 9.52 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.917 -0.772 . . . . 15.0 108.917 178.489 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.772 ' N ' ' O ' ' A' ' 4' ' ' LYS . 34.7 mt-30 -52.18 -34.71 46.34 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.62 -0.882 . . . . 15.0 108.62 178.373 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.617 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 41.9 t30 -61.81 -8.54 4.98 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.623 0.725 . . . . 15.0 109.131 177.752 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 6.27 4.41 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.762 -0.586 . . . . 15.0 110.374 -179.051 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.762 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.95 -37.72 3.18 Favored 'General case' 0 C--N 1.312 -1.038 0 O-C-N 120.986 -1.071 . . . . 15.0 109.243 -178.879 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.762 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 1.5 ptm -102.36 -33.75 9.45 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.821 -1.177 . . . . 15.0 107.821 178.616 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 2.5 mmmt -71.64 -15.61 62.24 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 106.634 -1.617 . . . . 15.0 106.634 175.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -16.92 61.41 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.226 -0.897 . . . . 15.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 1.8 ptmt -141.06 9.29 2.11 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 121.466 0.65 . . . . 15.0 109.8 179.594 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.87 -179.289 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.571 ' HD3' HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 110.153 -0.314 . . . . 15.0 110.153 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 5' ' ' ILE . 38.1 mt-30 -109.33 -47.58 3.38 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 120.8 -1.187 . . . . 15.0 110.658 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.8 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -35.75 -40.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.96 -1.088 . . . . 15.0 109.711 179.39 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.8 ' CD ' HD12 ' A' ' 3' ' ' ILE . 4.9 mptp? -67.46 -34.83 78.0 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 109.155 -0.683 . . . . 15.0 109.155 178.406 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.71 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -51.38 -31.6 12.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.607 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -71.09 -38.33 72.41 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.937 -1.134 . . . . 15.0 107.937 177.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.8 -52.47 5.47 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.875 -0.787 . . . . 15.0 108.875 178.271 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 4' ' ' LYS . 63.7 mt-30 -44.53 -33.15 1.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.872 -0.788 . . . . 15.0 108.872 178.535 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.1 t-20 -59.86 -9.38 2.87 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.483 -0.76 . . . . 15.0 109.112 177.422 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 7' ' ' PHE . 14.2 mmt180 -130.08 1.42 4.74 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.698 -0.626 . . . . 15.0 110.106 -179.591 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -114.47 -51.39 2.76 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 108.484 -0.932 . . . . 15.0 108.484 -179.281 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.8 ptt? -83.84 -36.86 23.16 Favored 'General case' 0 C--N 1.296 -1.744 0 C-N-CA 119.161 -1.016 . . . . 15.0 108.897 179.222 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -72.1 -14.64 61.9 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 107.709 -1.219 . . . . 15.0 107.709 177.213 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -17.0 59.94 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.855 -0.795 . . . . 15.0 108.855 179.11 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.19 8.68 2.27 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.52 0.676 . . . . 15.0 109.751 179.399 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.45 0 CA-C-O 118.012 -0.994 . . . . 15.0 110.942 -179.424 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 ttm-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.129 0.49 . . . . 15.0 110.641 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' A' ' 5' ' ' ILE . 48.6 mt-30 -146.81 -60.76 0.29 Allowed 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.408 -0.808 . . . . 15.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.858 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -38.23 -47.07 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.294 -0.879 . . . . 15.0 110.026 -179.335 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.8 mptp? -71.3 -38.83 71.74 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.242 -1.022 . . . . 15.0 108.242 178.031 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.606 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.3 mm -54.04 -28.76 17.88 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 N-CA-C 108.343 -0.984 . . . . 15.0 108.343 178.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 3.5 m-85 -75.03 -31.91 61.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 107.907 -1.146 . . . . 15.0 107.907 177.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -93.63 -52.11 4.62 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.637 -0.875 . . . . 15.0 108.637 178.314 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.765 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.0 mt-30 -44.46 -33.06 1.57 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.647 -0.872 . . . . 15.0 108.647 178.155 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 20.6 t-20 -59.09 -10.06 2.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.513 -0.742 . . . . 15.0 109.032 177.532 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 7' ' ' PHE . 4.4 mmm-85 -129.29 1.24 5.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.721 -0.612 . . . . 15.0 110.21 -179.558 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.65 -51.49 2.74 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.625 -0.88 . . . . 15.0 108.625 -178.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.2 ptp -83.89 -35.78 23.86 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 119.236 -0.986 . . . . 15.0 109.05 179.236 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.06 -13.73 61.27 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.572 -1.27 . . . . 15.0 107.572 177.188 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.21 -15.57 58.69 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.093 179.227 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -140.64 9.31 2.2 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.54 0.686 . . . . 15.0 109.508 179.313 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.44 0 CA-C-O 118.016 -0.992 . . . . 15.0 111.022 -179.35 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 8.1 ptp85 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.111 0.482 . . . . 15.0 110.64 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.77 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.8 mt-30 -140.35 -35.85 0.49 Allowed 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.249 -0.907 . . . . 15.0 110.947 -179.795 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.788 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.85 -35.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 120.814 -1.179 . . . . 15.0 108.297 179.358 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' HD2' HG12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -67.55 -36.56 81.2 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 109.036 -0.727 . . . . 15.0 109.036 177.627 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.77 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.11 -30.64 9.9 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 107.879 -1.156 . . . . 15.0 107.879 179.168 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.56 -36.78 65.66 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.152 -1.055 . . . . 15.0 108.152 178.265 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -88.34 -46.8 8.88 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.814 -0.81 . . . . 15.0 108.814 178.567 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.77 ' N ' ' O ' ' A' ' 4' ' ' LYS . 66.3 mt-30 -51.31 -35.52 38.24 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.628 -0.878 . . . . 15.0 108.628 178.369 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.596 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 9.8 t-20 -60.1 -9.41 3.19 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.664 0.745 . . . . 15.0 109.035 177.79 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.6 5.5 4.7 Favored 'General case' 0 C--N 1.308 -1.233 0 O-C-N 121.714 -0.616 . . . . 15.0 110.571 -179.109 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.99 -36.91 3.5 Favored 'General case' 0 C--O 1.21 -1.025 0 O-C-N 120.869 -1.144 . . . . 15.0 109.132 -179.044 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.763 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.01 -34.04 9.49 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.914 -1.143 . . . . 15.0 107.914 178.569 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.4 mmmt -73.34 -14.5 61.3 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.8 -1.556 . . . . 15.0 106.8 176.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.45 -16.44 60.86 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.216 -0.902 . . . . 15.0 108.807 179.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.69 8.86 2.17 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 121.523 0.678 . . . . 15.0 109.78 179.467 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.396 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.93 -179.316 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.983 0.42 . . . . 15.0 110.722 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.769 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 34.2 mt-30 -141.01 -35.3 0.48 Allowed 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.168 -0.958 . . . . 15.0 111.103 -179.651 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.794 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.81 -35.73 2.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 O-C-N 120.671 -1.268 . . . . 15.0 108.507 179.541 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.794 ' HD2' HG12 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -68.18 -35.91 78.77 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 109.035 -0.728 . . . . 15.0 109.035 177.632 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.769 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.53 -30.65 11.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.064 -1.087 . . . . 15.0 108.064 179.302 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -74.3 -35.65 63.7 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.142 -1.058 . . . . 15.0 108.142 178.284 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -88.46 -47.07 8.61 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.645 -0.872 . . . . 15.0 108.645 178.397 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.775 ' O ' ' HG3' ' A' ' 12' ' ' MET . 32.1 mt-30 -51.2 -36.46 41.47 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.658 -0.867 . . . . 15.0 108.658 178.283 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.593 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 49.9 t30 -59.92 -9.59 3.17 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.586 0.708 . . . . 15.0 109.155 177.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -130.45 5.03 4.73 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.724 -0.61 . . . . 15.0 110.605 -179.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.743 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -118.05 -35.95 3.73 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 121.005 -1.06 . . . . 15.0 109.201 -178.923 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.775 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 0.9 OUTLIER -102.63 -33.71 9.35 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 107.88 -1.156 . . . . 15.0 107.88 178.361 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 1.8 mmmt -74.48 -14.88 60.88 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.998 -1.482 . . . . 15.0 106.998 176.572 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.69 -17.68 61.1 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 108.655 -0.868 . . . . 15.0 108.655 179.117 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -141.25 10.76 2.13 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.683 -0.636 . . . . 15.0 109.592 179.324 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.441 0 CA-C-O 117.998 -1.001 . . . . 15.0 110.923 -179.423 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . 9.5 ptp85 . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 121.064 0.459 . . . . 15.0 110.109 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.772 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 37.6 mt-30 -142.82 -34.16 0.44 Allowed 'General case' 0 C--N 1.307 -1.248 0 O-C-N 121.269 -0.894 . . . . 15.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.777 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -46.53 -36.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 120.602 -1.311 . . . . 15.0 108.863 179.871 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.777 ' HD2' HG12 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -68.75 -34.45 75.61 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.54 -0.725 . . . . 15.0 109.229 177.726 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.772 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.8 -31.13 12.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.876 -1.157 . . . . 15.0 107.876 179.064 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -37.32 71.34 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.772 -1.195 . . . . 15.0 107.772 178.057 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -87.17 -52.56 5.34 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.961 -0.755 . . . . 15.0 108.961 178.245 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.738 ' N ' ' O ' ' A' ' 4' ' ' LYS . 15.7 mt-30 -44.14 -33.54 1.54 Allowed 'General case' 0 N--CA 1.493 1.711 0 N-CA-C 108.88 -0.785 . . . . 15.0 108.88 178.443 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.552 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 1.1 t30 -59.18 -10.3 2.74 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 121.745 0.783 . . . . 15.0 109.098 177.588 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 7' ' ' PHE . 3.8 mmt85 -128.26 1.04 5.76 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.626 -0.671 . . . . 15.0 110.175 -179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.533 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.41 -51.04 2.78 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 108.521 -0.918 . . . . 15.0 108.521 -178.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 2.9 ptt? -84.11 -36.15 23.16 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.232 -0.987 . . . . 15.0 108.932 179.263 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.2 -13.92 61.25 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 107.597 -1.26 . . . . 15.0 107.597 177.262 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.11 -16.12 59.31 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.831 -0.803 . . . . 15.0 108.831 179.143 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -139.72 8.13 2.34 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-O 121.538 0.685 . . . . 15.0 109.637 179.203 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.456 0 CA-C-O 117.969 -1.015 . . . . 15.0 110.972 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.026 0.441 . . . . 15.0 110.425 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.554 ' CA ' HG12 ' A' ' 5' ' ' ILE . 37.2 mt-30 -149.39 -55.52 0.18 Allowed 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.395 -0.816 . . . . 15.0 111.169 -179.6 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.813 HG12 ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -45.37 -41.71 3.0 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 O-C-N 121.265 -0.897 . . . . 15.0 108.977 -179.494 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' HD2' HG12 ' A' ' 3' ' ' ILE . 4.3 mptp? -71.28 -41.6 69.8 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 107.952 -1.129 . . . . 15.0 107.952 176.735 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.597 ' N ' HD13 ' A' ' 5' ' ' ILE . 2.9 mm -52.76 -28.12 12.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 108.266 -1.012 . . . . 15.0 108.266 178.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.04 -34.5 59.63 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.926 -1.139 . . . . 15.0 107.926 177.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.78 -46.35 8.28 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.778 -0.823 . . . . 15.0 108.778 178.448 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.791 ' N ' ' O ' ' A' ' 4' ' ' LYS . 47.4 mt-30 -52.48 -36.09 54.23 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.449 -0.945 . . . . 15.0 108.449 178.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 14.7 t-20 -60.61 -9.42 3.81 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.522 -0.736 . . . . 15.0 109.162 177.889 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.3 5.27 4.42 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.668 -0.645 . . . . 15.0 110.665 -178.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -117.67 -36.53 3.66 Favored 'General case' 0 C--N 1.311 -1.083 0 O-C-N 120.99 -1.069 . . . . 15.0 109.051 -178.922 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.777 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 1.3 ptp -102.43 -34.02 9.32 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.874 -1.158 . . . . 15.0 107.874 178.439 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -73.74 -14.46 61.13 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.867 -1.531 . . . . 15.0 106.867 176.499 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.56 -16.64 60.81 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.326 -0.852 . . . . 15.0 108.726 178.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.52 8.56 2.19 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-O 121.442 0.639 . . . . 15.0 109.689 179.449 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.395 0 CA-C-O 118.006 -0.997 . . . . 15.0 110.914 -179.272 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 121.079 0.466 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.564 ' O ' ' N ' ' A' ' 5' ' ' ILE . 16.8 mt-30 -147.49 -60.13 0.27 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.285 -0.884 . . . . 15.0 111.294 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.874 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.08 -48.07 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.401 -0.812 . . . . 15.0 110.247 -179.022 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.874 ' CD ' HD12 ' A' ' 3' ' ' ILE . 2.2 mptp? -71.23 -39.08 71.92 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.293 -1.002 . . . . 15.0 108.293 178.138 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.627 ' N ' HD13 ' A' ' 5' ' ' ILE . 3.0 mm -54.01 -28.7 17.69 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.837 0 N-CA-C 108.244 -1.021 . . . . 15.0 108.244 178.391 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -73.19 -34.31 65.9 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 107.76 -1.2 . . . . 15.0 107.76 177.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -92.12 -53.69 4.14 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.679 -0.86 . . . . 15.0 108.679 178.17 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.763 ' N ' ' O ' ' A' ' 4' ' ' LYS . 30.9 mt-30 -43.58 -34.46 1.42 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.71 -0.848 . . . . 15.0 108.71 178.494 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.557 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 53.1 t30 -60.95 -9.11 3.75 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.731 0.777 . . . . 15.0 109.203 177.354 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.49 2.5 4.17 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.714 -0.616 . . . . 15.0 110.153 -179.143 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.26 -51.49 2.7 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.159 -0.963 . . . . 15.0 108.5 -179.571 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 5.4 ptm -85.26 -36.52 20.84 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 119.188 -1.005 . . . . 15.0 108.939 179.251 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -71.21 -14.76 62.36 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.437 -1.32 . . . . 15.0 107.437 176.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -76.32 -15.51 59.97 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.04 179.268 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -140.56 9.09 2.21 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.561 0.695 . . . . 15.0 109.597 179.229 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.37 0 CA-C-O 118.016 -0.992 . . . . 15.0 110.847 -179.371 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 2' ' ' GLN . 3.8 ptm180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.043 0.449 . . . . 15.0 110.763 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.719 ' O ' ' HB ' ' A' ' 5' ' ' ILE . 52.3 mt-30 -136.42 -44.12 0.61 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.209 -0.932 . . . . 15.0 110.658 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.734 HD12 ' CD ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -37.51 -40.7 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 120.929 -1.107 . . . . 15.0 109.639 179.646 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' O ' ' N ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -67.22 -35.58 79.89 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.259 -0.645 . . . . 15.0 109.259 178.35 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.719 ' HB ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -51.13 -31.23 10.74 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 107.806 -1.183 . . . . 15.0 107.806 178.7 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -71.53 -38.72 71.03 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.959 -1.126 . . . . 15.0 107.959 177.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.636 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -86.87 -52.16 5.64 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.735 -0.839 . . . . 15.0 108.735 178.279 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.758 ' N ' ' O ' ' A' ' 4' ' ' LYS . 72.5 mt-30 -43.77 -35.87 2.05 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 178.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.54 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 58.7 t-20 -58.95 -10.54 2.56 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.74 0.781 . . . . 15.0 109.051 177.311 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.62 1.36 5.52 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.84 -0.538 . . . . 15.0 110.214 -179.606 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' HG3' ' C ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -115.34 -47.97 2.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.14 -0.975 . . . . 15.0 108.678 -179.478 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 4.8 ptp -87.82 -32.5 19.02 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 119.133 -1.027 . . . . 15.0 109.089 179.364 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' CG ' ' HA ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER -80.16 -7.52 58.98 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 107.795 -1.187 . . . . 15.0 107.795 177.029 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -82.3 -17.85 44.38 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 121.44 0.638 . . . . 15.0 109.687 -179.913 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -140.31 10.77 2.33 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.699 0.761 . . . . 15.0 109.096 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.34 0 CA-C-O 118.101 -0.952 . . . . 15.0 111.159 -179.407 . . . . . . . . 2 2 . 1 stop_ save_