data_1kuw_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 1kuw _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' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.585 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.651 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' H ' HG23 ' A' ' 7' ' ' ILE . 33.5 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.591 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.416 ' H ' HG23 ' A' ' 7' ' ' ILE . 33.1 m-85 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.54 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 62.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 54.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.687 HG13 HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' H ' HG22 ' A' ' 7' ' ' ILE . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.665 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 15.3 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.423 ' H ' HG22 ' A' ' 7' ' ' ILE . 4.0 m-85 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.668 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.448 ' CB ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' O ' HD21 ' A' ' 8' ' ' LEU . 63.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.659 0.742 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.547 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.452 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 44.4 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.596 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.643 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.43 ' N ' HD12 ' A' ' 8' ' ' LEU . 72.8 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.545 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.672 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 32.2 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.665 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 29.3 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 7' ' ' ILE . 45.0 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CA ' HG21 ' A' ' 7' ' ' ILE . 67.6 m-85 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.658 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 36.5 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.821 0.82 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.426 ' O ' HD12 ' A' ' 8' ' ' LEU . 67.3 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.584 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.04 0.448 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 84.8 m-85 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.224 0.535 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 8' ' ' LEU . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 74.4 m-85 . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.825 0.822 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.686 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD13 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.059 0.456 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.66 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.623 HD12 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' HG22 ' A' ' 7' ' ' ILE . 67.9 m-85 . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.43 0.633 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.642 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 12.8 t . . . . . 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.647 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 48.5 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.561 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.659 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.459 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.654 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.486 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 21.2 t . . . . . 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' N ' HG22 ' A' ' 7' ' ' ILE . 52.5 m-85 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.499 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.585 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.652 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 8' ' ' LEU . 2.0 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.469 ' O ' HG21 ' A' ' 7' ' ' ILE . 79.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.529 0.68 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.575 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.437 ' O ' HD12 ' A' ' 8' ' ' LEU . 11.2 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.594 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.013 0.435 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.675 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.587 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 121.713 0.768 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.582 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.159 0.504 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -138.55 -75.58 0.38 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.348 -0.845 . . . . 0.0 110.711 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER 176.69 60.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.167 -0.958 . . . . 0.0 110.085 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 38.8 m-85 -147.7 -126.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.585 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.651 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.65 -74.92 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.364 179.579 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.231 0.538 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -99.26 -144.45 0.32 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.481 -0.762 . . . . 0.0 110.321 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.645 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.87 60.98 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 O-C-N 121.171 -0.956 . . . . 0.0 108.442 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' H ' HG23 ' A' ' 7' ' ' ILE . 33.5 m-85 -147.03 -120.98 0.06 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.864 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.591 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -148.24 76.01 1.35 Allowed 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.36 179.724 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.199 0.523 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -98.78 -153.29 0.43 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.301 -0.874 . . . . 0.0 110.33 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 174.28 60.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 18.5 m-85 -145.04 -122.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.17 -62.05 0.16 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.424 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 29.1 m120 -99.41 -128.04 0.19 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.409 -0.807 . . . . 0.0 110.266 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.431 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -179.81 58.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 109.497 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 33.1 m-85 -147.4 -122.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.465 -0.772 . . . . 0.0 108.988 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.431 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 62.9 p -89.4 46.85 1.41 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.344 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.203 0.525 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -140.73 -123.42 0.11 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.33 -0.856 . . . . 0.0 110.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 175.11 58.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.0 -1.063 . . . . 0.0 109.358 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.437 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 54.3 m-85 -147.33 -118.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.483 -0.761 . . . . 0.0 109.256 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.687 HG13 HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.18 13.08 14.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.338 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.278 0.561 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.85 -158.29 0.84 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.319 -0.863 . . . . 0.0 110.228 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.651 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.68 62.03 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.325 -0.86 . . . . 0.0 108.732 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 21.4 m-85 -146.17 -124.75 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.665 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.433 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 15.3 t -87.39 -63.69 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.342 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.21 0.529 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -139.79 -168.26 2.46 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.37 -0.831 . . . . 0.0 110.126 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 179.03 59.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.865 . . . . 0.0 110.139 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 6.4 m-85 -142.38 -122.89 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.635 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p -148.22 42.74 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.427 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.071 0.462 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 19.4 p30 -139.32 168.68 19.27 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.261 -0.899 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER 178.31 62.21 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.0 m-85 -140.06 -121.04 0.12 Allowed 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.668 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.448 ' CB ' HD11 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -148.34 -68.66 0.23 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.263 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.325 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.276 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -101.04 -167.37 1.42 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.348 -0.845 . . . . 0.0 110.634 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.3 t-20 -178.89 55.73 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.7 m-85 -142.43 -124.95 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -149.62 45.05 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.404 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.227 0.537 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' CB ' HG23 ' A' ' 7' ' ' ILE . 9.3 p-10 -139.45 -172.91 3.47 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.373 -0.829 . . . . 0.0 110.415 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 173.9 36.69 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.294 -0.879 . . . . 0.0 109.479 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.91 -150.61 0.32 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t -150.81 -76.77 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.306 -1.284 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.538 -179.613 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.186 0.517 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -140.35 -154.12 0.5 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.293 -0.879 . . . . 0.0 110.33 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.42 57.97 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.902 . . . . 0.0 109.641 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 13.6 m-85 -144.75 -125.11 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.57 37.97 0.6 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.306 -1.308 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.48 -179.593 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.083 0.468 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 49.8 m-80 -99.44 -140.01 0.32 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.298 -0.876 . . . . 0.0 110.426 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.418 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 172.67 72.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.982 -1.074 . . . . 0.0 109.259 -179.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' O ' HD21 ' A' ' 8' ' ' LEU . 63.5 m-85 -147.37 -94.34 0.08 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.43 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' HA2' ' CD2' ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 7' ' ' ILE . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -90.36 -52.53 4.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.438 179.535 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -100.51 -157.44 0.61 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.376 -0.827 . . . . 0.0 110.439 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.3 t-20 -178.42 58.93 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 121.406 -0.809 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 12.5 m-85 -144.15 -124.15 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.452 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 44.4 t -88.74 -49.83 6.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.162 0.506 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 70.8 m-80 -137.57 -149.97 0.33 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.401 -0.812 . . . . 0.0 110.128 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' ND2' ' CZ ' ' A' ' 4' ' ' PHE . 2.1 p-10 -168.43 53.94 0.05 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.101 -0.999 . . . . 0.0 110.754 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CZ ' ' ND2' ' A' ' 3' ' ' ASN . 7.8 m-85 -147.07 -130.62 0.06 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.596 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.643 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' N ' HD12 ' A' ' 8' ' ' LEU . 72.8 m -88.92 -48.13 7.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.355 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.205 0.526 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.68 -117.93 0.15 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 121.265 -0.897 . . . . 0.0 110.509 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.446 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -178.64 57.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.922 -1.111 . . . . 0.0 109.454 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 49.2 m-85 -148.93 -123.02 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 109.16 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.545 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.672 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 32.2 t -87.08 -29.16 22.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.474 -179.711 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.114 0.483 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -99.65 -107.35 0.21 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 173.27 59.41 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.076 -1.015 . . . . 0.0 109.521 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 57.2 m-85 -148.92 -120.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 109.329 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.665 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 29.3 t -88.24 -72.77 0.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.326 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.111 0.482 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 3.4 m120 -138.4 -66.51 0.48 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.382 -0.824 . . . . 0.0 110.801 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 1.3 t-20 179.62 61.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.396 -0.815 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' H ' HG22 ' A' ' 7' ' ' ILE . 45.0 m-85 -148.22 -120.26 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -149.17 -47.74 0.14 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.305 179.631 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.174 0.512 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.437 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 29.9 m120 -101.12 -83.87 0.44 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.34 -0.85 . . . . 0.0 110.556 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER 179.91 42.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 0.0 109.958 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.513 ' CA ' HG21 ' A' ' 7' ' ' ILE . 67.6 m-85 -147.71 -62.99 0.27 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' ' 8' ' ' LEU . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.569 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.658 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 36.5 m -90.39 -14.82 32.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.28 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.24 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.123 0.487 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -98.36 -79.97 0.46 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.11 49.36 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.126 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 -149.91 -35.16 0.17 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.228 -0.92 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 -65.01 0.21 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -99.14 -135.43 0.28 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.387 -0.82 . . . . 0.0 110.13 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 m-80 -172.76 63.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 O-C-N 121.024 -1.048 . . . . 0.0 110.003 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.432 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 67.3 m-85 -148.45 -36.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.584 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -152.29 -67.41 0.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.306 -1.322 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.488 -179.698 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.136 0.494 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.38 -90.69 0.24 Allowed 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.38 -0.825 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.505 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 173.98 37.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.112 -0.993 . . . . 0.0 109.882 179.782 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 37.8 m-85 -148.24 2.61 0.66 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.105 -0.997 . . . . 0.0 111.27 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.645 HG13 HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.645 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.84 -47.48 6.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.216 179.799 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.82 -83.47 0.42 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.4 -0.813 . . . . 0.0 110.517 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.474 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 177.3 63.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.198 -0.939 . . . . 0.0 110.024 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' N ' ' CG2' ' A' ' 7' ' ' ILE . 84.8 m-85 -149.52 -105.47 0.07 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -151.11 -43.62 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.306 -1.285 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.202 0.525 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.5 -159.9 1.01 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.315 -0.865 . . . . 0.0 110.395 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.4 m120 -88.4 39.7 0.92 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.372 -0.83 . . . . 0.0 110.644 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 23.7 m-85 -145.88 -40.22 0.22 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 8' ' ' LEU . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 -73.12 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.307 -1.277 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.299 179.733 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.187 0.518 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -98.84 -75.53 0.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.325 -0.859 . . . . 0.0 110.61 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -177.48 42.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.527 -0.733 . . . . 0.0 109.807 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 8' ' ' LEU . 74.4 m-85 -147.94 -35.21 0.22 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.322 -0.861 . . . . 0.0 110.999 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.686 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD13 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m -150.13 -70.52 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.385 179.742 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.169 0.509 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 23.2 m120 -99.55 -78.92 0.5 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.327 -0.858 . . . . 0.0 110.605 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.467 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -177.27 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.477 -0.764 . . . . 0.0 109.788 179.818 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 45.1 m-85 -147.0 2.13 0.78 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.865 . . . . 0.0 111.027 -179.599 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.66 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.623 HD12 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -89.92 -58.46 2.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.307 -1.249 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.276 179.645 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -97.59 -148.79 0.32 Allowed 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.304 -0.872 . . . . 0.0 110.236 -179.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.446 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 8.6 m-80 -166.18 68.59 0.11 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.338 -0.851 . . . . 0.0 109.824 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' HG22 ' A' ' 7' ' ' ILE . 67.9 m-85 -148.13 -95.01 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.504 -0.748 . . . . 0.0 110.235 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -151.83 -77.09 0.13 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.422 179.714 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.126 0.489 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.6 -55.97 2.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.248 -0.908 . . . . 0.0 110.537 -179.651 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.502 ' HB3' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -178.8 -17.65 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 112.326 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -137.31 -151.97 0.42 Allowed 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.642 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 12.8 t -88.12 -76.42 0.39 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.324 179.541 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.273 0.559 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 2.5 m120 -103.2 -77.39 0.57 Allowed 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.27 -0.894 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.469 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -176.69 27.29 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.349 -0.844 . . . . 0.0 110.151 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 4.8 m-85 -149.57 -150.73 0.36 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.761 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.546 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.647 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.478 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 48.5 m -92.51 41.28 1.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.212 0.53 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -139.89 179.03 6.84 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.255 -0.903 . . . . 0.0 110.468 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 5.2 t30 -173.08 28.51 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.925 0.869 . . . . 0.0 109.103 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -151.4 0.36 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.424 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.657 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 79.8 p -87.94 -5.74 58.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.22 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.172 0.51 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' CB ' HG22 ' A' ' 7' ' ' ILE . 8.2 p-10 -99.11 175.68 5.82 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.379 -0.826 . . . . 0.0 110.652 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.56 33.99 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.458 -0.776 . . . . 0.0 109.347 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -150.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.012 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.659 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.459 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -87.81 -75.11 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.308 -1.227 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.332 179.649 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.258 0.551 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' CG ' HG22 ' A' ' 7' ' ' ILE . 12.9 m-80 -140.2 -144.73 0.17 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.398 -0.814 . . . . 0.0 109.787 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 175.29 35.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.784 -1.198 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.5 OUTLIER -146.09 -156.35 0.7 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.686 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.529 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' CD1' HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -148.61 23.99 0.99 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.163 0.506 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -98.4 175.61 5.98 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.322 -0.861 . . . . 0.0 110.03 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 3.2 t30 178.33 37.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.151 0.977 . . . . 0.0 108.46 -179.596 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -149.85 0.3 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.654 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.486 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 21.2 t -90.82 39.29 0.98 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.297 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.411 ' CB ' HG22 ' A' ' 7' ' ' ILE . 7.7 p-10 -141.08 -160.84 1.12 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.329 -0.857 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -177.87 28.75 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.624 -0.673 . . . . 0.0 109.509 179.448 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -147.11 -147.95 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.013 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m -150.54 -46.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.285 179.558 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.219 0.533 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.46 -77.52 0.28 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.346 -0.846 . . . . 0.0 109.994 179.636 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -139.18 46.47 1.93 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.518 -0.739 . . . . 0.0 109.543 179.472 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 52.5 m-85 -149.3 -87.54 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 -179.444 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.499 ' O ' HD13 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.585 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.652 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 8' ' ' LEU . 2.0 t -150.73 -71.45 0.17 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.307 -1.261 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.325 179.816 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.229 0.538 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -139.82 -80.68 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.464 -0.772 . . . . 0.0 110.141 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 21.7 t30 -133.06 53.58 2.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.506 -0.746 . . . . 0.0 109.022 179.502 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 79.5 m-85 -149.01 -92.19 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.465 -0.772 . . . . 0.0 110.317 -179.05 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -86.93 6.29 32.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.308 -1.233 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.358 179.693 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.12 -71.39 0.38 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.436 -0.79 . . . . 0.0 109.961 179.708 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.455 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -129.25 50.42 2.15 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.504 -0.748 . . . . 0.0 109.2 179.303 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 11.2 m-85 -145.4 -57.96 0.33 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 -179.201 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.594 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t -154.65 -79.96 0.09 Allowed 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.4 179.532 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.59 -81.13 0.46 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.351 -0.843 . . . . 0.0 110.611 -179.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.463 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.2 OUTLIER 171.45 35.96 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.381 -0.824 . . . . 0.0 109.784 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.451 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 46.9 m-85 -147.46 2.57 0.74 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.354 -0.841 . . . . 0.0 111.076 -179.372 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.675 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD11 HG13 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 38.34 0.66 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.305 179.766 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.13 0.491 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -98.82 -77.23 0.52 Allowed 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.441 -0.787 . . . . 0.0 110.545 -179.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.42 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -176.92 35.18 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.357 -0.839 . . . . 0.0 109.724 179.73 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 55.0 m-85 -145.62 2.51 0.95 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.311 -0.868 . . . . 0.0 111.087 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.587 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m -152.57 37.87 0.53 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.346 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -60.44 1.55 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.435 -0.79 . . . . 0.0 110.394 -179.684 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.5 m-80 -174.9 53.32 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.432 -0.792 . . . . 0.0 109.853 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 -147.92 -32.93 0.26 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.392 -0.817 . . . . 0.0 111.298 -179.671 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.582 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD13 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -151.49 -55.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.343 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.582 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.033 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.058 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.978 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.66 ' O ' HD13 ' A' ' 8' ' ' LEU . 33.5 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.023 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.012 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.834 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.088 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.981 ' N ' HD13 ' A' ' 8' ' ' LEU . 62.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' O ' HD21 ' A' ' 8' ' ' LEU . 54.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.078 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.809 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.013 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.071 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.953 ' N ' HD13 ' A' ' 8' ' ' LEU . 15.3 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.514 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.057 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.882 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.659 0.742 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.843 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.843 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.827 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.016 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.084 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 44.4 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.05 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.95 ' N ' HD13 ' A' ' 8' ' ' LEU . 72.8 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.087 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 32.2 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.812 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.085 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 29.3 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.544 ' O ' HD13 ' A' ' 8' ' ' LEU . 45.0 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CA ' HG23 ' A' ' 7' ' ' ILE . 67.6 m-85 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.051 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.069 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.945 ' N ' HD13 ' A' ' 8' ' ' LEU . 36.5 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.821 0.82 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.835 ' O ' HD13 ' A' ' 8' ' ' LEU . 67.3 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.044 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 8' ' ' LEU . 37.8 m-85 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.04 0.448 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.054 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 7' ' ' ILE . 84.8 m-85 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.224 0.535 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.863 ' O ' HD13 ' A' ' 8' ' ' LEU . 23.7 m-85 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.075 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD21 ' A' ' 8' ' ' LEU . 74.4 m-85 . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.825 0.822 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.042 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.881 ' O ' HD21 ' A' ' 8' ' ' LEU . 45.1 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.059 0.456 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.043 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 7' ' ' ILE . 67.9 m-85 . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.43 0.633 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.85 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.037 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 12.8 t . . . . . 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.969 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.005 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.054 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.01 ' N ' HD13 ' A' ' 8' ' ' LEU . 48.5 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.807 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.827 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.077 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 1.043 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.04 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . 1.019 ' N ' HD13 ' A' ' 8' ' ' LEU . 21.2 t . . . . . 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.053 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' ILE . 52.5 m-85 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.909 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.0 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' ILE . 79.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.529 0.68 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.814 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.2 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.997 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.874 ' O ' HD21 ' A' ' 8' ' ' LEU . 46.9 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.013 0.435 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.066 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.874 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD13 ' A' ' 8' ' ' LEU . 55.0 m-85 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.893 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 121.713 0.768 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.159 0.504 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -138.55 -75.58 0.38 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.348 -0.845 . . . . 0.0 110.711 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER 176.69 60.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.167 -0.958 . . . . 0.0 110.085 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 38.8 m-85 -147.7 -126.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.582 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.033 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.058 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.978 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.65 -74.92 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.364 179.579 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.231 0.538 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' HB2' HG22 ' A' ' 7' ' ' ILE . 11.4 m120 -99.26 -144.45 0.32 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.481 -0.762 . . . . 0.0 110.321 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.645 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.87 60.98 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 O-C-N 121.171 -0.956 . . . . 0.0 108.442 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.66 ' O ' HD13 ' A' ' 8' ' ' LEU . 33.5 m-85 -147.03 -120.98 0.06 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.864 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.023 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -148.24 76.01 1.35 Allowed 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.36 179.724 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.199 0.523 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -98.78 -153.29 0.43 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.301 -0.874 . . . . 0.0 110.33 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 2.3 m-20 174.28 60.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 18.5 m-85 -145.04 -122.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.012 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.17 -62.05 0.16 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.424 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 29.1 m120 -99.41 -128.04 0.19 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.409 -0.807 . . . . 0.0 110.266 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.431 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -179.81 58.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 109.497 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 33.1 m-85 -147.4 -122.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.465 -0.772 . . . . 0.0 108.988 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.834 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.088 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.981 ' N ' HD13 ' A' ' 8' ' ' LEU . 62.9 p -89.4 46.85 1.41 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.344 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.203 0.525 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HB2' HG22 ' A' ' 7' ' ' ILE . 13.3 m120 -140.73 -123.42 0.11 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.33 -0.856 . . . . 0.0 110.189 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 2.7 m-20 175.11 58.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.0 -1.063 . . . . 0.0 109.358 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' O ' HD21 ' A' ' 8' ' ' LEU . 54.3 m-85 -147.33 -118.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.483 -0.761 . . . . 0.0 109.256 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.078 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.18 13.08 14.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.338 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.278 0.561 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' HB2' HG22 ' A' ' 7' ' ' ILE . 69.4 m-80 -139.85 -158.29 0.84 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.319 -0.863 . . . . 0.0 110.228 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.651 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.68 62.03 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.325 -0.86 . . . . 0.0 108.732 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 21.4 m-85 -146.17 -124.75 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.013 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.071 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.953 ' N ' HD13 ' A' ' 8' ' ' LEU . 15.3 t -87.39 -63.69 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.342 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.21 0.529 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -139.79 -168.26 2.46 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.37 -0.831 . . . . 0.0 110.126 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 179.03 59.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.865 . . . . 0.0 110.139 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 6.4 m-85 -142.38 -122.89 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p -148.22 42.74 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.427 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.071 0.462 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 19.4 p30 -139.32 168.68 19.27 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.261 -0.899 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 17.1 t-20 178.31 62.21 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.0 m-85 -140.06 -121.04 0.12 Allowed 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.514 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.057 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.882 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -148.34 -68.66 0.23 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.263 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.325 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.276 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -101.04 -167.37 1.42 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.348 -0.845 . . . . 0.0 110.634 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 33.0 t30 -178.89 55.73 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.7 m-85 -142.43 -124.95 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -149.62 45.05 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.404 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.227 0.537 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' CB ' HG21 ' A' ' 7' ' ' ILE . 9.3 p-10 -139.45 -172.91 3.47 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.373 -0.829 . . . . 0.0 110.415 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 173.9 36.69 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.294 -0.879 . . . . 0.0 109.479 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.91 -150.61 0.32 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t -150.81 -76.77 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.306 -1.284 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.538 -179.613 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.186 0.517 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HB2' HG22 ' A' ' 7' ' ' ILE . 77.3 m-20 -140.35 -154.12 0.5 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.293 -0.879 . . . . 0.0 110.33 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.42 57.97 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.902 . . . . 0.0 109.641 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 13.6 m-85 -144.75 -125.11 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.57 37.97 0.6 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.306 -1.308 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.48 -179.593 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.083 0.468 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 49.8 m-80 -99.44 -140.01 0.32 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.298 -0.876 . . . . 0.0 110.426 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.467 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.4 OUTLIER 172.67 72.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.982 -1.074 . . . . 0.0 109.259 -179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 63.5 m-85 -147.37 -94.34 0.08 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.43 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.843 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -90.36 -52.53 4.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.438 179.535 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 m120 -100.51 -157.44 0.61 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.376 -0.827 . . . . 0.0 110.439 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 31.9 t30 -178.42 58.93 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 121.406 -0.809 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 12.5 m-85 -144.15 -124.15 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.827 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.016 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.084 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 44.4 t -88.74 -49.83 6.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.162 0.506 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' A' ' 7' ' ' ILE . 30.9 m120 -137.57 -149.97 0.33 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.401 -0.812 . . . . 0.0 110.128 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' ND2' ' CE1' ' A' ' 4' ' ' PHE . 2.1 p-10 -168.43 53.94 0.05 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.101 -0.999 . . . . 0.0 110.754 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE1' ' ND2' ' A' ' 3' ' ' ASN . 7.8 m-85 -147.07 -130.62 0.06 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.05 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.95 ' N ' HD13 ' A' ' 8' ' ' LEU . 72.8 m -88.92 -48.13 7.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.355 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.205 0.526 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.68 -117.93 0.15 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 121.265 -0.897 . . . . 0.0 110.509 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 7' ' ' ILE . 13.2 t-20 -178.64 57.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.922 -1.111 . . . . 0.0 109.454 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 49.2 m-85 -148.93 -123.02 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 109.16 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.087 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 32.2 t -87.08 -29.16 22.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.474 -179.711 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.114 0.483 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -99.65 -107.35 0.21 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.443 ' N ' HG21 ' A' ' 7' ' ' ILE . 2.5 m-20 173.27 59.41 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.076 -1.015 . . . . 0.0 109.521 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 57.2 m-85 -148.92 -120.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 109.329 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.812 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.085 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 29.3 t -88.24 -72.77 0.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.326 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.111 0.482 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 3.4 m120 -138.4 -66.51 0.48 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.382 -0.824 . . . . 0.0 110.801 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 7' ' ' ILE . 29.3 t30 179.62 61.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.396 -0.815 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.544 ' O ' HD13 ' A' ' 8' ' ' LEU . 45.0 m-85 -148.22 -120.26 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -149.17 -47.74 0.14 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.305 179.631 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.174 0.512 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 29.9 m120 -101.12 -83.87 0.44 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.34 -0.85 . . . . 0.0 110.556 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER 179.91 42.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 0.0 109.958 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CA ' HG23 ' A' ' 7' ' ' ILE . 67.6 m-85 -147.71 -62.99 0.27 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.051 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.069 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.945 ' N ' HD13 ' A' ' 8' ' ' LEU . 36.5 m -90.39 -14.82 32.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.28 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.24 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.123 0.487 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -98.36 -79.97 0.46 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.11 49.36 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.126 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 -149.91 -35.16 0.17 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.228 -0.92 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 -65.01 0.21 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -99.14 -135.43 0.28 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.387 -0.82 . . . . 0.0 110.13 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 m-80 -172.76 63.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 O-C-N 121.024 -1.048 . . . . 0.0 110.003 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.835 ' O ' HD13 ' A' ' 8' ' ' LEU . 67.3 m-85 -148.45 -36.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.044 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -152.29 -67.41 0.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.306 -1.322 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.488 -179.698 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.136 0.494 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -137.38 -90.69 0.24 Allowed 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.38 -0.825 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.57 ' O ' HG21 ' A' ' 7' ' ' ILE . 2.3 m-20 173.98 37.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.112 -0.993 . . . . 0.0 109.882 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 37.8 m-85 -148.24 2.61 0.66 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.105 -0.997 . . . . 0.0 111.27 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.054 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.84 -47.48 6.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.216 179.799 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.82 -83.47 0.42 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.4 -0.813 . . . . 0.0 110.517 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.474 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 177.3 63.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.198 -0.939 . . . . 0.0 110.024 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 7' ' ' ILE . 84.8 m-85 -149.52 -105.47 0.07 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -151.11 -43.62 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.306 -1.285 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.202 0.525 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.535 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 m-20 -140.5 -159.9 1.01 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.315 -0.865 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.4 m120 -88.4 39.7 0.92 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.372 -0.83 . . . . 0.0 110.644 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.863 ' O ' HD13 ' A' ' 8' ' ' LEU . 23.7 m-85 -145.88 -40.22 0.22 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.075 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 -73.12 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.307 -1.277 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.299 179.733 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.187 0.518 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -98.84 -75.53 0.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.325 -0.859 . . . . 0.0 110.61 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 4.9 m-20 -177.48 42.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.527 -0.733 . . . . 0.0 109.807 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD21 ' A' ' 8' ' ' LEU . 74.4 m-85 -147.94 -35.21 0.22 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.322 -0.861 . . . . 0.0 110.999 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.042 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m -150.13 -70.52 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.385 179.742 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.169 0.509 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 23.2 m120 -99.55 -78.92 0.5 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.327 -0.858 . . . . 0.0 110.605 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.611 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -177.27 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.477 -0.764 . . . . 0.0 109.788 179.818 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.881 ' O ' HD21 ' A' ' 8' ' ' LEU . 45.1 m-85 -147.0 2.13 0.78 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.865 . . . . 0.0 111.027 -179.599 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.043 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -89.92 -58.46 2.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.307 -1.249 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.276 179.645 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -97.59 -148.79 0.32 Allowed 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.304 -0.872 . . . . 0.0 110.236 -179.736 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.446 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 2.7 m120 -166.18 68.59 0.11 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.338 -0.851 . . . . 0.0 109.824 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 7' ' ' ILE . 67.9 m-85 -148.13 -95.01 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.504 -0.748 . . . . 0.0 110.235 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -151.83 -77.09 0.13 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.422 179.714 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.126 0.489 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.62 ' HB2' HG21 ' A' ' 7' ' ' ILE . 1.1 m120 -97.6 -55.97 2.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.248 -0.908 . . . . 0.0 110.537 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 4' ' ' PHE . 7.7 t-20 -178.8 -17.65 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 112.326 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -137.31 -151.97 0.42 Allowed 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.85 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.037 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 12.8 t -88.12 -76.42 0.39 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.324 179.541 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.273 0.559 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' HB2' HG21 ' A' ' 7' ' ' ILE . 2.5 m120 -103.2 -77.39 0.57 Allowed 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.27 -0.894 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.469 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.4 m-20 -176.69 27.29 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.349 -0.844 . . . . 0.0 110.151 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 4.8 m-85 -149.57 -150.73 0.36 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.761 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.969 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.005 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.054 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.01 ' N ' HD13 ' A' ' 8' ' ' LEU . 48.5 m -92.51 41.28 1.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.212 0.53 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.616 ' CB ' HG21 ' A' ' 7' ' ' ILE . 3.1 p-10 -139.89 179.03 6.84 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.255 -0.903 . . . . 0.0 110.468 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 3' ' ' ASN . 11.7 t-20 -173.08 28.51 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.925 0.869 . . . . 0.0 109.103 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -151.4 0.36 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.807 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 79.8 p -87.94 -5.74 58.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.22 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.172 0.51 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.596 ' CB ' HG21 ' A' ' 7' ' ' ILE . 8.2 p-10 -99.11 175.68 5.82 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.379 -0.826 . . . . 0.0 110.652 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -178.56 33.99 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.458 -0.776 . . . . 0.0 109.347 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -150.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.012 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.827 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.077 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -87.81 -75.11 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.308 -1.227 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.332 179.649 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.258 0.551 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.597 ' CB ' HG21 ' A' ' 7' ' ' ILE . 10.5 m120 -140.2 -144.73 0.17 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.398 -0.814 . . . . 0.0 109.787 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 175.29 35.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.784 -1.198 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.5 OUTLIER -146.09 -156.35 0.7 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.686 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -148.61 23.99 0.99 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.163 0.506 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 7' ' ' ILE . 29.3 m-80 -98.4 175.61 5.98 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.322 -0.861 . . . . 0.0 110.03 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.485 ' CG ' ' O ' ' A' ' 3' ' ' ASN . 6.0 t-20 178.33 37.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.151 0.977 . . . . 0.0 108.46 -179.596 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -149.85 0.3 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 1.043 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.04 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.019 ' N ' HD13 ' A' ' 8' ' ' LEU . 21.2 t -90.82 39.29 0.98 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.297 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.66 ' CB ' HG21 ' A' ' 7' ' ' ILE . 3.9 p30 -141.08 -160.84 1.12 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.329 -0.857 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 4.1 m-20 -177.87 28.75 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.624 -0.673 . . . . 0.0 109.509 179.448 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -147.11 -147.95 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.013 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.053 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m -150.54 -46.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.285 179.558 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.219 0.533 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.46 -77.52 0.28 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.346 -0.846 . . . . 0.0 109.994 179.636 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -139.18 46.47 1.93 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.518 -0.739 . . . . 0.0 109.543 179.472 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 52.5 m-85 -149.3 -87.54 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 -179.444 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.909 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.0 t -150.73 -71.45 0.17 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.307 -1.261 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.325 179.816 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.229 0.538 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -139.82 -80.68 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.464 -0.772 . . . . 0.0 110.141 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 21.7 t30 -133.06 53.58 2.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.506 -0.746 . . . . 0.0 109.022 179.502 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' ILE . 79.5 m-85 -149.01 -92.19 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.465 -0.772 . . . . 0.0 110.317 -179.05 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -86.93 6.29 32.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.308 -1.233 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.358 179.693 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.12 -71.39 0.38 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.436 -0.79 . . . . 0.0 109.961 179.708 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.455 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -129.25 50.42 2.15 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.504 -0.748 . . . . 0.0 109.2 179.303 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.814 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.2 m-85 -145.4 -57.96 0.33 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 -179.201 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.997 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t -154.65 -79.96 0.09 Allowed 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.4 179.532 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.59 -81.13 0.46 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.351 -0.843 . . . . 0.0 110.611 -179.586 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.62 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.2 OUTLIER 171.45 35.96 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.381 -0.824 . . . . 0.0 109.784 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.874 ' O ' HD21 ' A' ' 8' ' ' LEU . 46.9 m-85 -147.46 2.57 0.74 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.354 -0.841 . . . . 0.0 111.076 -179.372 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.066 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.874 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 38.34 0.66 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.305 179.766 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.13 0.491 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -98.82 -77.23 0.52 Allowed 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.441 -0.787 . . . . 0.0 110.545 -179.708 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 7' ' ' ILE . 19.4 t-20 -176.92 35.18 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.357 -0.839 . . . . 0.0 109.724 179.73 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD13 ' A' ' 8' ' ' LEU . 55.0 m-85 -145.62 2.51 0.95 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.311 -0.868 . . . . 0.0 111.087 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m -152.57 37.87 0.53 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.346 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -60.44 1.55 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.435 -0.79 . . . . 0.0 110.394 -179.684 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -174.9 53.32 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.432 -0.792 . . . . 0.0 109.853 179.826 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.893 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 -147.92 -32.93 0.26 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.392 -0.817 . . . . 0.0 111.298 -179.671 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -151.49 -55.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.343 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.582 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.033 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.058 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.978 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.66 ' O ' HD13 ' A' ' 8' ' ' LEU . 33.5 m-85 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.023 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.012 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.834 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.088 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.981 ' N ' HD13 ' A' ' 8' ' ' LEU . 62.9 p . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.474 ' O ' HD21 ' A' ' 8' ' ' LEU . 54.3 m-85 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.078 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.809 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.013 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.071 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.953 ' N ' HD13 ' A' ' 8' ' ' LEU . 15.3 t . . . . . 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.514 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.057 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.882 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.659 0.742 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.843 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.843 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.827 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.016 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.084 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 44.4 t . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.05 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.95 ' N ' HD13 ' A' ' 8' ' ' LEU . 72.8 m . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.087 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 32.2 t . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.812 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.085 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 29.3 t . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.544 ' O ' HD13 ' A' ' 8' ' ' LEU . 45.0 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CA ' HG23 ' A' ' 7' ' ' ILE . 67.6 m-85 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.051 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.069 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.945 ' N ' HD13 ' A' ' 8' ' ' LEU . 36.5 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.821 0.82 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.835 ' O ' HD13 ' A' ' 8' ' ' LEU . 67.3 m-85 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.044 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.493 ' O ' HD21 ' A' ' 8' ' ' LEU . 37.8 m-85 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.04 0.448 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.054 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 7' ' ' ILE . 84.8 m-85 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.224 0.535 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.863 ' O ' HD13 ' A' ' 8' ' ' LEU . 23.7 m-85 . . . . . 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.075 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD21 ' A' ' 8' ' ' LEU . 74.4 m-85 . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 121.825 0.822 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.042 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.881 ' O ' HD21 ' A' ' 8' ' ' LEU . 45.1 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.059 0.456 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.043 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 7' ' ' ILE . 67.9 m-85 . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.43 0.633 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.672 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.85 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.037 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 12.8 t . . . . . 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.969 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.005 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.054 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.01 ' N ' HD13 ' A' ' 8' ' ' LEU . 48.5 m . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.807 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 79.8 p . . . . . 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.699 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.827 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.077 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 1.043 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.04 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 1.019 ' N ' HD13 ' A' ' 8' ' ' LEU . 21.2 t . . . . . 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.053 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.439 ' N ' HG23 ' A' ' 7' ' ' ILE . 52.5 m-85 . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.909 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.0 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' ILE . 79.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.529 0.68 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.814 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.2 m-85 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.997 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.874 ' O ' HD21 ' A' ' 8' ' ' LEU . 46.9 m-85 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.013 0.435 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.066 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.874 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD13 ' A' ' 8' ' ' LEU . 55.0 m-85 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.043 0.449 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.893 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 . . . . . 0 N--CA 1.498 1.969 0 CA-C-O 121.713 0.768 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.159 0.504 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -138.55 -75.58 0.38 Allowed 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.348 -0.845 . . . . 0.0 110.711 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER 176.69 60.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.167 -0.958 . . . . 0.0 110.085 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 38.8 m-85 -147.7 -126.37 0.06 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.582 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -107.69 0.91 34.2 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.34 25.61 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.301 -1.117 . . . . 0.0 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.033 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.12 -11.73 10.56 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.31 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.54 -179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.058 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.02 -13.53 28.56 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.248 -0.907 . . . . 0.0 109.647 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.978 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -88.65 -74.92 0.45 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.308 -0.87 . . . . 0.0 110.224 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.364 179.579 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.231 0.538 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.405 ' HB2' HG22 ' A' ' 7' ' ' ILE . 11.0 m-80 -99.26 -144.45 0.32 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.481 -0.762 . . . . 0.0 110.321 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.645 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.87 60.98 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.094 0 O-C-N 121.171 -0.956 . . . . 0.0 108.442 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.66 ' O ' HD13 ' A' ' 8' ' ' LEU . 33.5 m-85 -147.03 -120.98 0.06 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.284 -0.885 . . . . 0.0 108.864 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.35 -4.73 40.63 Favored Glycine 0 N--CA 1.487 2.041 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 -30.04 30.76 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.113 -1.227 . . . . 0.0 110.373 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.023 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -90.29 -10.94 10.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.291 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.214 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -84.56 -88.46 0.11 Allowed 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.424 -0.798 . . . . 0.0 110.635 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.0 m -148.24 76.01 1.35 Allowed 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 121.31 0.576 . . . . 0.0 110.135 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.307 -1.248 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.36 179.724 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.199 0.523 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -98.78 -153.29 0.43 Allowed 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.301 -0.874 . . . . 0.0 110.33 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 174.28 60.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 18.5 m-85 -145.04 -122.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.08 -2.4 36.11 Favored Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.57 -30.86 29.35 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 121.159 -1.2 . . . . 0.0 110.495 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.012 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.23 -15.5 8.61 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.371 0 CA-C-O 121.931 0.872 . . . . 0.0 108.978 179.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.42 39.19 0.9 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.547 -0.72 . . . . 0.0 110.968 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.17 -62.05 0.16 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.154 -0.966 . . . . 0.0 110.375 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.424 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.156 0.503 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.421 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 29.1 m120 -99.41 -128.04 0.19 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.409 -0.807 . . . . 0.0 110.266 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.431 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -179.81 58.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.007 -1.058 . . . . 0.0 109.497 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.431 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 33.1 m-85 -147.4 -122.55 0.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.465 -0.772 . . . . 0.0 108.988 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.834 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -107.47 -3.8 35.05 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.1 27.08 Favored 'General case' 0 C--N 1.307 -1.253 0 O-C-N 121.166 -1.197 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.99 -17.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.323 0 CA-C-O 121.998 0.904 . . . . 0.0 109.137 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.088 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.18 -14.39 25.66 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.832 0.825 . . . . 0.0 109.696 179.214 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.981 ' N ' HD13 ' A' ' 8' ' ' LEU . 62.9 p -89.4 46.85 1.41 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.272 -0.892 . . . . 0.0 110.185 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.344 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.203 0.525 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HB2' HG22 ' A' ' 7' ' ' ILE . 17.2 m-80 -140.73 -123.42 0.11 Allowed 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.33 -0.856 . . . . 0.0 110.189 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.417 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 175.11 58.66 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.0 -1.063 . . . . 0.0 109.358 179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.474 ' O ' HD21 ' A' ' 8' ' ' LEU . 54.3 m-85 -147.33 -118.86 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.483 -0.761 . . . . 0.0 109.256 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -118.74 -1.67 14.93 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.06 -26.49 22.52 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 121.387 -1.067 . . . . 0.0 112.426 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.078 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -79.52 -16.25 13.17 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 CA-C-O 121.732 0.777 . . . . 0.0 109.356 -178.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.809 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.4 OUTLIER -86.15 16.15 4.55 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.386 -0.821 . . . . 0.0 110.641 177.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.18 13.08 14.09 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.159 -0.963 . . . . 0.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.308 -1.199 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.338 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.2 p . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.278 0.561 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' HB2' HG22 ' A' ' 7' ' ' ILE . 69.4 m-80 -139.85 -158.29 0.84 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.319 -0.863 . . . . 0.0 110.228 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.651 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -174.68 62.03 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.188 0 O-C-N 121.325 -0.86 . . . . 0.0 108.732 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 21.4 m-85 -146.17 -124.75 0.07 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.518 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -103.21 0.16 47.38 Favored Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -85.36 -31.47 22.95 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 121.2 -1.176 . . . . 0.0 110.568 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.013 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.25 -14.71 8.61 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-O 121.919 0.866 . . . . 0.0 109.357 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.071 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.93 -12.57 33.07 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.884 0.85 . . . . 0.0 109.704 179.154 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.953 ' N ' HD13 ' A' ' 8' ' ' LEU . 15.3 t -87.39 -63.69 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.16 -0.963 . . . . 0.0 110.212 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.342 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.21 0.529 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -139.79 -168.26 2.46 Favored 'General case' 0 C--N 1.307 -1.242 0 O-C-N 121.37 -0.831 . . . . 0.0 110.126 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 179.03 59.95 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.865 . . . . 0.0 110.139 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.45 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 6.4 m-85 -142.38 -122.89 0.1 Allowed 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.0 -1.83 54.95 Favored Glycine 0 N--CA 1.488 2.103 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.34 -25.2 42.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.396 1.093 . . . . 0.0 110.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.35 -6.58 10.4 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.365 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.523 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mp -85.4 12.12 8.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.99 -1.069 . . . . 0.0 110.711 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 p -148.22 42.74 1.02 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.242 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.427 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.071 0.462 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 19.4 p30 -139.32 168.68 19.27 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.261 -0.899 . . . . 0.0 110.759 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.3 OUTLIER 178.31 62.21 0.01 OUTLIER 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.0 m-85 -140.06 -121.04 0.12 Allowed 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.514 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -100.17 -0.52 55.94 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.08 -31.78 25.13 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 121.083 -1.246 . . . . 0.0 110.385 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.78 -12.42 8.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.314 0 CA-C-O 121.914 0.864 . . . . 0.0 109.531 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.057 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.67 -8.54 49.7 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.45 -0.782 . . . . 0.0 109.555 179.183 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.882 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -148.34 -68.66 0.23 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.099 -1.001 . . . . 0.0 110.122 178.498 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.307 -1.263 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.325 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.276 0.56 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -101.04 -167.37 1.42 Allowed 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.348 -0.845 . . . . 0.0 110.634 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.461 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.3 t-20 -178.89 55.73 0.01 OUTLIER 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 4.7 m-85 -142.43 -124.95 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.97 -0.24 35.95 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 109.776 -1.33 . . . . 0.0 109.776 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.53 -31.72 32.62 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 121.116 -1.226 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.37 -15.09 8.47 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.345 0 CA-C-O 121.996 0.903 . . . . 0.0 109.165 179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 7' ' ' ILE . 5.9 mp -87.22 12.75 10.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.578 -0.701 . . . . 0.0 110.892 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -149.62 45.05 0.94 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 0.0 110.166 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.307 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.404 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.227 0.537 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' CB ' HG21 ' A' ' 7' ' ' ILE . 9.3 p-10 -139.45 -172.91 3.47 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.373 -0.829 . . . . 0.0 110.415 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 173.9 36.69 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.294 -0.879 . . . . 0.0 109.479 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.91 -150.61 0.32 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.37 23.16 9.87 Favored Glycine 0 N--CA 1.483 1.776 0 N-CA-C 108.814 -1.714 . . . . 0.0 108.814 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.13 -33.11 26.35 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 121.314 -1.109 . . . . 0.0 110.414 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.56 -16.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.39 0 CA-C-O 121.939 0.876 . . . . 0.0 109.101 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD12 HG13 ' A' ' 7' ' ' ILE . 5.8 mp -87.06 11.97 12.53 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.658 -0.651 . . . . 0.0 110.936 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.6 t -150.81 -76.77 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.142 -0.974 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.306 -1.284 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.538 -179.613 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.186 0.517 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.408 ' HB2' HG22 ' A' ' 7' ' ' ILE . 77.3 m-20 -140.35 -154.12 0.5 Allowed 'General case' 0 C--N 1.307 -1.264 0 O-C-N 121.293 -0.879 . . . . 0.0 110.33 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.42 57.97 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.256 -0.902 . . . . 0.0 109.641 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 13.6 m-85 -144.75 -125.11 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.26 -1.96 38.4 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.06 -29.92 34.9 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.229 -1.159 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -88.51 -15.06 9.29 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.337 0 CA-C-O 121.957 0.884 . . . . 0.0 108.991 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -85.64 4.47 36.21 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.616 -0.677 . . . . 0.0 110.688 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.57 37.97 0.6 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.191 -0.943 . . . . 0.0 110.114 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.306 -1.308 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.48 -179.593 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.083 0.468 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 49.8 m-80 -99.44 -140.01 0.32 Allowed 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.298 -0.876 . . . . 0.0 110.426 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.467 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.4 OUTLIER 172.67 72.49 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.982 -1.074 . . . . 0.0 109.259 -179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 63.5 m-85 -147.37 -94.34 0.08 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.43 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.843 ' HA2' HD23 ' A' ' 8' ' ' LEU . . . -138.37 -2.99 1.95 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.04 -27.26 14.68 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.158 -1.201 . . . . 0.0 112.722 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.34 -12.18 11.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.545 0 CA-C-O 121.83 0.824 . . . . 0.0 109.796 -178.373 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.843 HD23 ' HA2' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -85.1 3.87 36.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 0.0 110.894 178.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -90.36 -52.53 4.87 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.033 -1.042 . . . . 0.0 110.192 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.438 179.535 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . 9.6 m120 -100.51 -157.44 0.61 Allowed 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.376 -0.827 . . . . 0.0 110.439 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 1.3 t-20 -178.42 58.93 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 O-C-N 121.406 -0.809 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 3' ' ' ASN . 12.5 m-85 -144.15 -124.15 0.08 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.827 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -105.14 -0.4 41.3 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.2 -31.71 24.94 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.171 -1.193 . . . . 0.0 110.596 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.016 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.26 -17.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 122.02 0.914 . . . . 0.0 109.165 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.084 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.9 -13.96 26.57 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.811 0.815 . . . . 0.0 109.613 179.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 44.4 t -88.74 -49.83 6.61 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.303 -0.873 . . . . 0.0 110.159 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.162 0.506 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' A' ' 7' ' ' ILE . 70.8 m-80 -137.57 -149.97 0.33 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.401 -0.812 . . . . 0.0 110.128 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' ND2' ' CE1' ' A' ' 4' ' ' PHE . 2.1 p-10 -168.43 53.94 0.05 Allowed 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.101 -0.999 . . . . 0.0 110.754 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' CE1' ' ND2' ' A' ' 3' ' ' ASN . 7.8 m-85 -147.07 -130.62 0.06 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -103.32 4.44 48.01 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 -29.06 26.55 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.412 -1.052 . . . . 0.0 111.085 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.73 -10.57 10.35 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.35 0 CA-C-O 121.823 0.82 . . . . 0.0 109.7 -179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.05 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.46 -12.67 29.19 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.36 -0.838 . . . . 0.0 109.642 179.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.95 ' N ' HD13 ' A' ' 8' ' ' LEU . 72.8 m -88.92 -48.13 7.67 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.236 -0.915 . . . . 0.0 110.156 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.307 -1.246 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.355 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.205 0.526 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -99.68 -117.93 0.15 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 121.265 -0.897 . . . . 0.0 110.509 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -178.64 57.73 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.922 -1.111 . . . . 0.0 109.454 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 49.2 m-85 -148.93 -123.02 0.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.356 -0.84 . . . . 0.0 109.16 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.705 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -109.18 -3.7 31.24 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.32 -30.91 25.16 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 121.109 -1.23 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -90.78 -16.52 8.14 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.316 0 CA-C-O 122.063 0.935 . . . . 0.0 109.311 179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.087 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -94.08 -11.94 29.54 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.729 0.776 . . . . 0.0 109.645 179.113 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 32.2 t -87.08 -29.16 22.09 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.247 -0.908 . . . . 0.0 110.252 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p . . . . . 0 C--N 1.306 -1.304 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.474 -179.711 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.114 0.483 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -99.65 -107.35 0.21 Allowed 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.443 ' N ' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER 173.27 59.41 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.076 -1.015 . . . . 0.0 109.521 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 57.2 m-85 -148.92 -120.91 0.05 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 109.329 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.812 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -110.54 -6.56 26.95 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.27 -31.76 24.76 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 121.122 -1.222 . . . . 0.0 110.448 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.021 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.88 -16.23 8.0 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.33 0 CA-C-O 122.019 0.914 . . . . 0.0 109.294 179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.085 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -93.05 -13.39 28.69 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.764 0.792 . . . . 0.0 109.641 179.105 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.976 ' N ' HD13 ' A' ' 8' ' ' LEU . 29.3 t -88.24 -72.77 0.52 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.201 -0.937 . . . . 0.0 110.283 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.326 179.703 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.111 0.482 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' ASN . 3.4 m120 -138.4 -66.51 0.48 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.382 -0.824 . . . . 0.0 110.801 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 7' ' ' ILE . 1.3 t-20 179.62 61.18 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.396 -0.815 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.544 ' O ' HD13 ' A' ' 8' ' ' LEU . 45.0 m-85 -148.22 -120.26 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.553 -0.717 . . . . 0.0 109.113 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.03 -6.74 36.67 Favored Glycine 0 N--CA 1.487 2.081 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.94 -29.66 35.41 Favored 'General case' 0 C--N 1.31 -1.147 0 O-C-N 121.205 -1.173 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.88 -13.9 9.24 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.327 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.089 179.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.64 28.46 1.0 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.581 -0.699 . . . . 0.0 110.793 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 p -149.17 -47.74 0.14 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.178 -0.951 . . . . 0.0 110.205 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.305 179.631 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.174 0.512 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 29.9 m120 -101.12 -83.87 0.44 Allowed 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.34 -0.85 . . . . 0.0 110.556 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 0.4 OUTLIER 179.91 42.15 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.252 -0.905 . . . . 0.0 109.958 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' CA ' HG23 ' A' ' 7' ' ' ILE . 67.6 m-85 -147.71 -62.99 0.27 Allowed 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.118 0.961 . . . . 0.0 110.107 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.42 -22.38 74.8 Favored Glycine 0 C--N 1.278 -2.666 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.22 -28.16 27.47 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.248 1.023 . . . . 0.0 110.698 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.051 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -85.12 -16.72 10.14 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.328 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.333 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.069 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.38 -14.31 20.21 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.963 0.887 . . . . 0.0 109.33 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.945 ' N ' HD13 ' A' ' 8' ' ' LEU . 36.5 m -90.39 -14.82 32.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.222 -0.924 . . . . 0.0 110.378 179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.28 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.24 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.123 0.487 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -98.36 -79.97 0.46 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.213 -0.929 . . . . 0.0 110.216 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.454 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 177.11 49.36 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.894 . . . . 0.0 110.126 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.51 ' O ' HD13 ' A' ' 8' ' ' LEU . 79.2 m-85 -149.91 -35.16 0.17 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.228 -0.92 . . . . 0.0 111.148 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.97 -29.01 8.85 Favored Glycine 0 C--N 1.28 -2.553 0 N-CA-C 108.481 -1.847 . . . . 0.0 108.481 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.6 40.24 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.311 1.053 . . . . 0.0 110.565 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.039 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.56 -16.51 12.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.901 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.5 mp -89.06 28.85 1.12 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.686 -0.634 . . . . 0.0 110.676 178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -150.28 -65.01 0.21 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.05 -1.031 . . . . 0.0 110.406 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.307 -1.275 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.357 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.229 0.538 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -99.14 -135.43 0.28 Allowed 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.387 -0.82 . . . . 0.0 110.13 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 m-80 -172.76 63.36 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 O-C-N 121.024 -1.048 . . . . 0.0 110.003 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.835 ' O ' HD13 ' A' ' 8' ' ' LEU . 67.3 m-85 -148.45 -36.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.971 0.891 . . . . 0.0 110.604 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.07 -28.07 12.53 Favored Glycine 0 C--N 1.281 -2.515 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.78 40.18 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.31 1.052 . . . . 0.0 110.382 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.044 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.57 -13.03 12.23 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.167 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 4' ' ' PHE . 6.0 mp -88.01 36.41 0.77 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.347 -0.846 . . . . 0.0 110.585 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -152.29 -67.41 0.17 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 110.127 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.306 -1.322 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.488 -179.698 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.2 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.136 0.494 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.38 -90.69 0.24 Allowed 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.38 -0.825 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.57 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.1 OUTLIER 173.98 37.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.112 -0.993 . . . . 0.0 109.882 179.782 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 37.8 m-85 -148.24 2.61 0.66 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.105 -0.997 . . . . 0.0 111.27 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.94 15.61 4.82 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 107.758 -2.137 . . . . 0.0 107.758 178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.293 . . -141.84 -19.61 0.74 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 122.178 0.989 . . . . 0.0 110.764 -178.242 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.054 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -80.74 -11.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.439 -179.725 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.756 HD13 HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.58 -9.37 58.97 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.074 -1.016 . . . . 0.0 110.447 178.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.84 -47.48 6.73 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.501 -0.75 . . . . 0.0 110.147 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.306 -1.319 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.216 179.799 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.163 0.506 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -98.82 -83.47 0.42 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.4 -0.813 . . . . 0.0 110.517 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.474 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 177.3 63.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.198 -0.939 . . . . 0.0 110.024 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.558 ' O ' HG23 ' A' ' 7' ' ' ILE . 84.8 m-85 -149.52 -105.47 0.07 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.326 -0.859 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.29 -15.64 59.19 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.93 -28.19 39.76 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 122.068 0.937 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.24 -13.1 10.96 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.284 0 CA-C-O 121.862 0.839 . . . . 0.0 109.17 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -87.08 46.99 1.44 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 179.119 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -151.11 -43.62 0.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.323 -0.86 . . . . 0.0 109.989 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.306 -1.285 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.202 0.525 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.535 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 m-20 -140.5 -159.9 1.01 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.315 -0.865 . . . . 0.0 110.395 179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.434 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 22.4 m120 -88.4 39.7 0.92 Allowed 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.372 -0.83 . . . . 0.0 110.644 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.863 ' O ' HD13 ' A' ' 8' ' ' LEU . 23.7 m-85 -145.88 -40.22 0.22 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.186 0.993 . . . . 0.0 109.626 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.23 -27.0 12.69 Favored Glycine 0 C--N 1.281 -2.493 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -78.52 -23.71 46.12 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.402 1.096 . . . . 0.0 110.134 179.484 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.075 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.03 -11.04 12.27 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.202 179.963 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.863 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.2 mp -83.74 2.94 35.48 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.216 -0.927 . . . . 0.0 110.809 178.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 -73.12 0.15 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.211 -0.931 . . . . 0.0 110.198 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.307 -1.277 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.299 179.733 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.187 0.518 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -98.84 -75.53 0.56 Allowed 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.325 -0.859 . . . . 0.0 110.61 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -177.48 42.8 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 O-C-N 121.527 -0.733 . . . . 0.0 109.807 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD21 ' A' ' 8' ' ' LEU . 74.4 m-85 -147.94 -35.21 0.22 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.322 -0.861 . . . . 0.0 110.999 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.86 23.46 35.56 Favored Glycine 0 C--N 1.283 -2.386 0 N-CA-C 108.691 -1.763 . . . . 0.0 108.691 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.29 . . -142.23 -20.33 0.7 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 122.203 1.002 . . . . 0.0 111.22 -178.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.042 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.94 3.16 3.3 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.269 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.918 -179.463 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -84.85 10.27 12.04 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.397 -1.44 . . . . 0.0 110.493 178.643 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 m -150.13 -70.52 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.085 -1.009 . . . . 0.0 110.29 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.385 179.742 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.169 0.509 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 23.2 m120 -99.55 -78.92 0.5 Allowed 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.327 -0.858 . . . . 0.0 110.605 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.611 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.7 OUTLIER -177.27 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.477 -0.764 . . . . 0.0 109.788 179.818 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.881 ' O ' HD21 ' A' ' 8' ' ' LEU . 45.1 m-85 -147.0 2.13 0.78 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.865 . . . . 0.0 111.027 -179.599 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.05 8.69 8.55 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 178.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.269 . . -134.86 -21.26 1.69 Allowed 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 122.169 0.985 . . . . 0.0 110.876 -178.563 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.043 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.09 -2.35 6.5 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.682 -179.563 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.881 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.51 0.51 42.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.687 -1.258 . . . . 0.0 110.098 178.381 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -89.92 -58.46 2.5 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.258 -0.901 . . . . 0.0 110.182 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 C--N 1.307 -1.249 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.276 179.645 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 t . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.146 0.498 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -97.59 -148.79 0.32 Allowed 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.304 -0.872 . . . . 0.0 110.236 -179.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.446 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 8.6 m-80 -166.18 68.59 0.11 Allowed 'General case' 0 C--N 1.307 -1.25 0 O-C-N 121.338 -0.851 . . . . 0.0 109.824 179.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 7' ' ' ILE . 67.9 m-85 -148.13 -95.01 0.08 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.504 -0.748 . . . . 0.0 110.235 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.34 -17.58 59.71 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 108.417 -1.873 . . . . 0.0 108.417 178.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.03 -28.86 39.27 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.204 1.002 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.16 -17.2 9.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-O 122.004 0.907 . . . . 0.0 108.811 179.436 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD12 HG13 ' A' ' 7' ' ' ILE . 5.7 mp -86.23 2.57 46.54 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 110.899 179.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -151.83 -77.09 0.13 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.175 -0.953 . . . . 0.0 110.298 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.422 179.714 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.126 0.489 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.62 ' HB2' HG21 ' A' ' 7' ' ' ILE . 1.1 m120 -97.6 -55.97 2.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.248 -0.908 . . . . 0.0 110.537 -179.651 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.52 ' HB3' ' CE2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -178.8 -17.65 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 112.326 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -137.31 -151.97 0.42 Allowed 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 179.814 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.85 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -115.65 27.0 8.61 Favored Glycine 0 N--CA 1.483 1.79 0 N-CA-C 108.948 -1.661 . . . . 0.0 108.948 178.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.73 -36.76 21.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 121.375 -1.074 . . . . 0.0 110.641 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.037 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -91.67 -19.74 6.92 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.387 0 CA-C-O 122.028 0.918 . . . . 0.0 109.466 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.73 -14.11 30.51 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.743 0.783 . . . . 0.0 109.594 179.176 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 12.8 t -88.12 -76.42 0.39 Allowed 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.227 -0.921 . . . . 0.0 110.093 179.077 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.324 179.541 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.273 0.559 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.516 ' HB2' HG21 ' A' ' 7' ' ' ILE . 2.5 m120 -103.2 -77.39 0.57 Allowed 'General case' 0 C--N 1.309 -1.193 0 O-C-N 121.27 -0.894 . . . . 0.0 110.475 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.469 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -176.69 27.29 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.349 -0.844 . . . . 0.0 110.151 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 4.8 m-85 -149.57 -150.73 0.36 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -179.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.969 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -120.51 19.65 9.08 Favored Glycine 0 N--CA 1.483 1.822 0 N-CA-C 108.096 -2.001 . . . . 0.0 108.096 178.055 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.2 -42.86 8.73 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 121.361 -1.082 . . . . 0.0 111.649 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.005 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -93.01 -18.17 7.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.459 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.474 -178.754 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.054 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -91.39 -16.06 27.99 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.819 0.819 . . . . 0.0 109.419 179.114 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.01 ' N ' HD13 ' A' ' 8' ' ' LEU . 48.5 m -92.51 41.28 1.07 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.289 -0.882 . . . . 0.0 110.065 178.761 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.306 -1.303 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.222 179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.212 0.53 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.616 ' CB ' HG21 ' A' ' 7' ' ' ILE . 3.1 p-10 -139.89 179.03 6.84 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.255 -0.903 . . . . 0.0 110.468 179.742 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 5.2 t30 -173.08 28.51 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.925 0.869 . . . . 0.0 109.103 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.39 -151.4 0.36 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.807 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -117.52 24.76 8.95 Favored Glycine 0 N--CA 1.482 1.764 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 178.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.05 -35.83 25.42 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.337 -1.096 . . . . 0.0 110.574 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -92.89 -17.21 7.5 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 CA-C-O 121.954 0.883 . . . . 0.0 109.507 179.896 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.65 -12.72 35.99 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.844 0.83 . . . . 0.0 109.567 178.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.952 ' N ' HD13 ' A' ' 8' ' ' LEU . 79.8 p -87.94 -5.74 58.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.422 179.085 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.308 -1.22 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.3 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 121.172 0.51 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.596 ' CB ' HG21 ' A' ' 7' ' ' ILE . 8.2 p-10 -99.11 175.68 5.82 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.379 -0.826 . . . . 0.0 110.652 -179.716 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.56 33.99 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.189 0 O-C-N 121.458 -0.776 . . . . 0.0 109.347 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.86 -150.08 0.3 Allowed 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.012 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.827 ' CA ' HD12 ' A' ' 8' ' ' LEU . . . -116.72 23.38 10.22 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.033 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.18 -36.78 24.43 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 121.299 -1.118 . . . . 0.0 110.408 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.025 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.86 -16.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 179.925 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.077 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.49 -13.31 35.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.788 0.804 . . . . 0.0 109.684 179.067 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.973 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -87.81 -75.11 0.42 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.231 -0.918 . . . . 0.0 109.998 179.068 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.308 -1.227 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.332 179.649 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.258 0.551 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.597 ' CB ' HG21 ' A' ' 7' ' ' ILE . 12.9 m-80 -140.2 -144.73 0.17 Allowed 'General case' 0 C--N 1.306 -1.326 0 O-C-N 121.398 -0.814 . . . . 0.0 109.787 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.415 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER 175.29 35.44 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.784 -1.198 . . . . 0.0 110.419 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.5 OUTLIER -146.09 -156.35 0.7 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.686 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.56 22.12 15.6 Favored Glycine 0 C--N 1.293 -1.815 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.233 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.83 -38.64 15.52 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 122.56 1.171 . . . . 0.0 110.129 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.004 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -96.21 -18.14 6.65 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.902 -179.576 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD12 HG13 ' A' ' 7' ' ' ILE . 5.6 mp -86.65 15.85 5.25 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.614 -0.679 . . . . 0.0 110.905 179.321 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -148.61 23.99 0.99 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.135 -0.978 . . . . 0.0 110.418 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.307 -1.273 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.26 179.522 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.163 0.506 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 7' ' ' ILE . 29.3 m-80 -98.4 175.61 5.98 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.322 -0.861 . . . . 0.0 110.03 -179.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 3.2 t30 178.33 37.38 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 122.151 0.977 . . . . 0.0 108.46 -179.596 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -149.85 0.3 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 1.043 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . -115.51 21.83 12.46 Favored Glycine 0 N--CA 1.482 1.743 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.061 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.58 -46.07 10.46 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 121.389 -1.065 . . . . 0.0 111.055 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.04 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -94.42 -14.9 7.95 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.476 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.06 -179.038 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.053 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -90.61 -15.72 30.0 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.201 -0.937 . . . . 0.0 109.702 179.228 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.019 ' N ' HD13 ' A' ' 8' ' ' LEU . 21.2 t -90.82 39.29 0.98 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.324 -0.86 . . . . 0.0 110.294 178.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.266 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.297 179.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.66 ' CB ' HG21 ' A' ' 7' ' ' ILE . 7.7 p-10 -141.08 -160.84 1.12 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.329 -0.857 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -177.87 28.75 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.624 -0.673 . . . . 0.0 109.509 179.448 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.419 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 0.1 OUTLIER -147.11 -147.95 0.24 Allowed 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.013 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.33 22.35 6.66 Favored Glycine 0 N--CA 1.486 1.996 0 N-CA-C 108.488 -1.845 . . . . 0.0 108.488 178.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.23 -33.16 20.8 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.384 -1.069 . . . . 0.0 110.993 -179.178 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.053 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -91.93 -10.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.384 0 CA-C-O 121.833 0.825 . . . . 0.0 109.521 179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 HG13 ' A' ' 7' ' ' ILE . 6.0 mp -86.84 47.2 1.46 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.278 -0.889 . . . . 0.0 110.532 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.9 m -150.54 -46.06 0.12 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.421 -0.799 . . . . 0.0 110.095 179.922 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.306 -1.323 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.285 179.558 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.219 0.533 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.46 -77.52 0.28 Allowed 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.346 -0.846 . . . . 0.0 109.994 179.636 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.499 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -139.18 46.47 1.93 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.518 -0.739 . . . . 0.0 109.543 179.472 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' CG ' ' C ' ' A' ' 3' ' ' ASN . 52.5 m-85 -149.3 -87.54 0.08 Allowed 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 121.716 0.77 . . . . 0.0 110.203 -179.444 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.641 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -66.69 -16.36 65.61 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 108.754 -1.738 . . . . 0.0 108.754 179.057 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.54 -28.39 28.66 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.215 1.007 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.026 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -86.48 -13.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.294 0 CA-C-O 121.854 0.835 . . . . 0.0 109.403 -179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.065 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -92.54 -11.09 35.39 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.799 0.809 . . . . 0.0 109.486 178.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.909 ' N ' HD13 ' A' ' 8' ' ' LEU . 2.0 t -150.73 -71.45 0.17 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 110.089 178.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.307 -1.261 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.325 179.816 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.229 0.538 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -139.82 -80.68 0.29 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.464 -0.772 . . . . 0.0 110.141 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.479 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 21.7 t30 -133.06 53.58 2.01 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.506 -0.746 . . . . 0.0 109.022 179.502 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.503 ' O ' HG23 ' A' ' 7' ' ' ILE . 79.5 m-85 -149.01 -92.19 0.07 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.465 -0.772 . . . . 0.0 110.317 -179.05 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.23 -18.19 62.51 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.574 -1.811 . . . . 0.0 108.574 178.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.33 -28.1 38.24 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.205 1.002 . . . . 0.0 111.001 -179.831 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.063 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -84.82 -14.07 11.25 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.278 0 CA-C-O 121.929 0.871 . . . . 0.0 109.122 179.771 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 7' ' ' ILE . 6.0 mp -88.29 38.49 0.86 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.547 -0.72 . . . . 0.0 110.327 178.535 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -86.93 6.29 32.82 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.286 -0.884 . . . . 0.0 110.098 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.308 -1.233 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.358 179.693 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.245 0.545 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.12 -71.39 0.38 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.436 -0.79 . . . . 0.0 109.961 179.708 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.455 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 0.7 OUTLIER -129.25 50.42 2.15 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.504 -0.748 . . . . 0.0 109.2 179.303 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.814 ' O ' HD13 ' A' ' 8' ' ' LEU . 11.2 m-85 -145.4 -57.96 0.33 Allowed 'General case' 0 N--CA 1.492 1.652 0 CA-C-O 122.303 1.049 . . . . 0.0 109.906 -179.201 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.25 -24.57 47.24 Favored Glycine 0 C--N 1.278 -2.689 0 N-CA-C 108.733 -1.747 . . . . 0.0 108.733 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.97 -25.13 43.49 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-O 122.389 1.09 . . . . 0.0 110.488 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.997 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.98 -10.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.259 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.204 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.7 mp -86.78 -50.27 6.87 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 122.387 1.089 . . . . 0.0 110.015 178.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 t -154.65 -79.96 0.09 Allowed 'General case' 0 C--N 1.279 -2.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.147 179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.309 -1.182 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.4 179.532 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.115 0.483 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -99.59 -81.13 0.46 Allowed 'General case' 0 C--N 1.307 -1.24 0 O-C-N 121.351 -0.843 . . . . 0.0 110.611 -179.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.62 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.2 OUTLIER 171.45 35.96 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.381 -0.824 . . . . 0.0 109.784 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.874 ' O ' HD21 ' A' ' 8' ' ' LEU . 46.9 m-85 -147.46 2.57 0.74 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.354 -0.841 . . . . 0.0 111.076 -179.372 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.24 8.53 10.39 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.02 -2.032 . . . . 0.0 108.02 178.657 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.272 . . -135.61 -20.61 1.56 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.244 1.021 . . . . 0.0 110.93 -178.495 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.066 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -83.16 -0.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.809 -179.471 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.874 HD21 ' O ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -82.35 3.65 27.05 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.596 -1.315 . . . . 0.0 110.273 178.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.93 38.34 0.66 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.248 -0.907 . . . . 0.0 110.067 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.305 179.766 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.13 0.491 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -98.82 -77.23 0.52 Allowed 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.441 -0.787 . . . . 0.0 110.545 -179.708 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.444 ' O ' HG21 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -176.92 35.18 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.357 -0.839 . . . . 0.0 109.724 179.73 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' O ' HD13 ' A' ' 8' ' ' LEU . 55.0 m-85 -145.62 2.51 0.95 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.311 -0.868 . . . . 0.0 111.087 -179.49 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -105.61 -33.42 3.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 178.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.67 -24.31 39.0 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-O 122.482 1.134 . . . . 0.0 110.165 179.254 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.03 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.06 -12.57 12.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.155 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.841 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -86.08 2.61 45.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.295 -0.878 . . . . 0.0 110.632 178.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 m -152.57 37.87 0.53 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.233 -0.917 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.307 -1.278 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.346 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.136 0.493 . . . . 0.0 110.198 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.47 -60.44 1.55 Allowed 'General case' 0 C--N 1.306 -1.293 0 O-C-N 121.435 -0.79 . . . . 0.0 110.394 -179.684 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' CG ' ' A' ' 4' ' ' PHE . 3.5 m-80 -174.9 53.32 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.281 0 O-C-N 121.432 -0.792 . . . . 0.0 109.853 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.893 ' O ' HD13 ' A' ' 8' ' ' LEU . 94.2 m-85 -147.92 -32.93 0.26 Allowed 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.392 -0.817 . . . . 0.0 111.298 -179.671 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.54 -28.84 13.27 Favored Glycine 0 C--N 1.281 -2.476 0 N-CA-C 108.438 -1.865 . . . . 0.0 108.438 178.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.78 -25.42 37.91 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 122.31 1.052 . . . . 0.0 110.679 179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 1.027 ' O ' HD12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -82.88 -13.31 12.09 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.121 -179.91 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.893 HD13 ' O ' ' A' ' 4' ' ' PHE . 5.9 mp -87.29 46.68 1.4 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.382 -0.824 . . . . 0.0 110.418 178.763 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -151.49 -55.85 0.14 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.257 -0.902 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.306 -1.314 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.343 179.659 . . . . . . . . 1 1 . 1 stop_ save_