data_1nkf_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 1nkf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.466 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.466 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.597 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.511 ' CG ' HG22 ' A' ' 8' ' ' ILE . 11.0 mm-40 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.581 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.581 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.523 ' CG ' HG22 ' A' ' 8' ' ' ILE . 14.4 mm-40 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.517 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.533 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.2 mm-40 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.527 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 11.8 mm-40 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.4 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.302 0.572 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 8.5 mm-40 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 49.8 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.565 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.565 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 11.5 mm-40 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.542 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG3' HG12 ' A' ' 8' ' ' ILE . 13.3 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.497 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.351 0.595 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 7' ' ' TYR . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.476 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.53 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.441 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.473 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.548 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 14.0 mm-40 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 23.3 t0 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.557 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 16.2 mm-40 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.347 0.594 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.479 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.519 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 11.3 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 6.7 mm-40 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.497 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.433 0.635 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.517 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 15' ' ' ALA . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 18.1 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.452 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.49 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.569 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.569 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.49 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.9 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' O ' ' HB1' ' A' ' 14' ' ' ALA . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 11' ' ' ALA . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' CG ' HG22 ' A' ' 8' ' ' ILE . 17.9 mm-40 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.228 0.537 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.464 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 7.2 mm-40 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 1' ' ' ASP . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' CB ' ' A' ' 15' ' ' ALA . 18.0 mm-40 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 20.1 t0 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.475 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.485 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.459 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.469 ' OD2' ' OD1' ' A' ' 5' ' ' ASP . 13.3 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.275 0.56 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.558 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 12.7 mm-40 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.457 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.322 0.582 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 9' ' ' SER . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 15.8 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 13' ' ' ALA . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.0 mm-40 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.467 ' OD2' ' OD1' ' A' ' 5' ' ' ASP . 26.7 t0 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.461 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.524 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ALA . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.4 mm-40 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.463 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.532 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.532 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 53.4 t0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.409 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 12.6 mm-40 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.496 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.35 0.595 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.525 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.525 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 12.2 mm-40 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.369 0.604 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.512 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 8.8 mm-40 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.482 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.526 HG22 ' CG ' ' A' ' 16' ' ' GLN . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ALA . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' CG ' HG22 ' A' ' 8' ' ' ILE . 19.5 mm-40 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.512 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.447 0.641 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 13.4 mm-40 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 7.7 mm-40 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 37.4 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.457 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.573 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 9.9 mm-40 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.466 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 -54.35 134.43 45.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.881 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.466 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.466 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.597 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.511 ' CG ' HG22 ' A' ' 8' ' ' ILE . 11.0 mm-40 -98.18 72.49 2.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.47 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 -54.8 136.49 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.933 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.581 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' ALA . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.581 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' CG ' HG22 ' A' ' 8' ' ' ILE . 14.4 mm-40 -91.31 -85.63 0.23 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.784 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 -54.66 127.87 30.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.517 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.533 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.2 mm-40 -82.6 119.29 24.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.847 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 -54.25 130.03 37.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.034 -1.041 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.527 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.527 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 11.8 mm-40 -84.28 -90.99 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.486 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 -53.84 133.07 42.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 109.491 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.472 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 16' ' ' GLN . 8.5 mm-40 -75.8 -17.0 60.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 49.8 t0 -55.87 136.16 51.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.565 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 11.5 mm-40 -91.55 124.44 35.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.484 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.825 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 -53.82 133.77 42.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.542 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 13.3 mm-40 -77.89 24.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.807 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.497 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 -56.9 130.66 46.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 7' ' ' TYR . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.476 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.53 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 16.6 mm-40 -75.99 67.29 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.47 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 -54.55 130.43 39.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.473 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.548 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 14.0 mm-40 -70.85 -64.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.48 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.835 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 23.3 t0 -54.62 134.6 46.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.557 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 16.2 mm-40 -83.46 -71.53 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.468 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 -54.6 136.8 44.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.479 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.519 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 11.3 mm-40 -90.82 51.06 1.9 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 -54.27 127.08 25.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.965 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 6.7 mm-40 -86.71 162.91 17.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.485 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.497 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 -53.3 137.35 35.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.517 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 15' ' ' ALA . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' HB3' ' O ' ' A' ' 0' ' ' ACE . 18.1 mm-40 -81.89 -42.53 19.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.473 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 -53.99 136.36 41.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.49 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.569 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.569 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.49 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.9 mm-40 -79.73 128.07 32.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.043 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.475 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 -54.24 134.68 44.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.698 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' O ' ' HB1' ' A' ' 14' ' ' ALA . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 11' ' ' ALA . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.504 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' CG ' HG22 ' A' ' 8' ' ' ILE . 17.9 mm-40 -91.28 125.46 36.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.485 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 -56.95 132.75 53.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.464 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' ALA . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' OE1' ' O ' ' A' ' 0' ' ' ACE . 7.2 mm-40 -97.08 -87.41 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.478 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 -54.14 142.21 26.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 1' ' ' ASP . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ALA . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' NE2' ' CB ' ' A' ' 15' ' ' ALA . 18.0 mm-40 -92.34 65.57 4.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.0 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.484 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 20.1 t0 -53.83 134.67 42.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.18 -0.95 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.474 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.475 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.485 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 16.6 mm-40 -79.75 59.53 3.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.48 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.469 ' OD2' ' OD1' ' A' ' 5' ' ' ASP . 13.3 t0 -57.02 133.92 55.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.874 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.523 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.558 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 12.7 mm-40 -76.32 139.31 40.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.97 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.502 ' O ' ' CG ' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.818 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 -54.35 135.87 44.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.448 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.484 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 9' ' ' SER . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 0' ' ' ACE . 15.8 mm-40 -83.07 172.38 12.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.484 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 -54.1 139.21 35.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.014 -1.054 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 HG23 ' HA ' ' A' ' 13' ' ' ALA . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.0 mm-40 -90.26 19.68 4.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.467 ' OD2' ' OD1' ' A' ' 5' ' ' ASP . 26.7 t0 -55.02 132.73 47.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.337 -0.852 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.524 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.478 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 15' ' ' ALA . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 15.4 mm-40 -85.6 -97.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 -54.63 132.07 44.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.172 -0.955 . . . . 0.0 109.453 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.532 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.532 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 13.1 mm-40 -84.2 -2.59 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.469 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 53.4 t0 -54.4 133.76 45.52 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 12.6 mm-40 -93.31 -89.29 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.833 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.496 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 -54.68 125.61 20.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.203 -0.936 . . . . 0.0 109.707 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.483 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.474 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.525 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.505 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 12.2 mm-40 -90.07 -161.48 0.79 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.473 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.811 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.464 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 -54.4 140.06 35.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 ' CG2' ' CA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.48 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 8.8 mm-40 -88.62 120.25 29.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.482 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 -53.47 133.0 40.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.497 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG22 ' CG ' ' A' ' 16' ' ' GLN . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 15' ' ' ALA . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CA ' ' CG2' ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' CB ' ' NE2' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' CG ' HG22 ' A' ' 8' ' ' ILE . 19.5 mm-40 -94.0 -125.27 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.512 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 -54.23 143.54 22.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.12 -0.988 . . . . 0.0 109.796 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 13.4 mm-40 -91.14 -157.28 0.49 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.491 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 -53.15 137.15 34.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.495 HG23 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' GLU . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 7.7 mm-40 -78.87 55.3 1.71 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.471 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.505 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 37.4 t0 -55.7 138.4 47.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.505 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.573 ' CG2' ' N ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.573 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 9.9 mm-40 -90.69 4.73 50.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.621 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.479 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.72 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.763 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.763 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.47 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 14.4 mm-40 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.749 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.1 mm100 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB3' HG23 ' A' ' 8' ' ' ILE . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.635 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.434 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.302 0.572 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 8' ' ' ILE . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 2.6 mm100 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 49.8 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.615 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.4 mm100 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.609 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.609 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.715 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.715 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.3 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.534 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.351 0.595 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.666 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.3 mm100 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.645 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.9 mm100 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.485 ' HA ' HG13 ' A' ' 8' ' ' ILE . 23.3 t0 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.687 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.849 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.2 mm-40 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.347 0.594 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.55 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.694 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.2 mm100 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.635 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 1.8 mm100 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.523 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.433 0.635 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.835 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.633 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.843 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.843 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.9 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.766 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.4 mm100 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.521 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.228 0.537 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.555 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.706 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 7.2 mm-40 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.7 mm100 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 8' ' ' ILE . 20.1 t0 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.3 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.275 0.56 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.722 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.322 0.582 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.2 mm100 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.2 mm100 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.488 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.7 t0 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.51 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.571 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.895 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.4 mm-40 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.556 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.837 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.837 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.527 ' HA ' HG13 ' A' ' 8' ' ' ILE . 53.4 t0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.584 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mm100 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.35 0.595 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.652 ' HB3' HG23 ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.772 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.4 mm100 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.369 0.604 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.591 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.506 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mm100 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.727 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.8 mm100 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.447 0.641 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.724 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.9 mm100 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.512 ' N ' ' CD ' ' A' ' 16' ' ' GLN . 2.2 mm100 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 37.4 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.471 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.836 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.836 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 9.9 mm-40 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.462 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 -54.35 134.43 45.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.881 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.621 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.72 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.763 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.763 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 -98.18 72.49 2.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.619 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 -54.8 136.49 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.933 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.9 mm100 -91.31 -85.63 0.23 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.599 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.784 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 -54.66 127.87 30.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.749 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.1 mm100 -82.6 119.29 24.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.618 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.847 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 -54.25 130.03 37.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.034 -1.041 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB3' HG23 ' A' ' 8' ' ' ILE . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.635 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 -84.28 -90.99 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.541 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 -53.84 133.07 42.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 109.491 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 8' ' ' ILE . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 2.6 mm100 -75.8 -17.0 60.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.556 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 49.8 t0 -55.87 136.16 51.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.615 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.4 mm100 -91.55 124.44 35.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.536 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.825 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 -53.82 133.77 42.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.609 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.609 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mm100 -77.89 24.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.578 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.807 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.534 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 -56.9 130.66 46.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.666 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.3 mm100 -75.99 67.29 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.602 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 -54.55 130.43 39.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.645 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.9 mm100 -70.85 -64.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.835 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.485 ' HA ' HG13 ' A' ' 8' ' ' ILE . 23.3 t0 -54.62 134.6 46.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.687 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.849 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.2 mm-40 -83.46 -71.53 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 -54.6 136.8 44.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.55 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.694 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.2 mm100 -90.82 51.06 1.9 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 -54.27 127.08 25.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.965 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.635 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.635 ' NE2' ' HB2' ' A' ' 2' ' ' LYS . 1.8 mm100 -86.71 162.91 17.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.483 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 -53.3 137.35 35.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' N ' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.684 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.684 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.5 mm100 -81.89 -42.53 19.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.462 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 -53.99 136.36 41.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.633 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.843 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.843 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.9 mm-40 -79.73 128.07 32.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.043 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.564 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 -54.24 134.68 44.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.698 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.766 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.4 mm100 -91.28 125.46 36.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.635 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 -56.95 132.75 53.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.555 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.635 ' NE2' ' O ' ' A' ' 0' ' ' ACE . 2.1 mm100 -97.08 -87.41 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.533 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 -54.14 142.21 26.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.7 mm100 -92.34 65.57 4.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.0 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 8' ' ' ILE . 20.1 t0 -53.83 134.67 42.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.18 -0.95 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.594 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.594 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.1 mm100 -79.75 59.53 3.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.615 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.3 t0 -57.02 133.92 55.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.874 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.722 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.722 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mm100 -76.32 139.31 40.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.97 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.614 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.818 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 -54.35 135.87 44.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.748 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.2 mm100 -83.07 172.38 12.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.615 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 -54.1 139.21 35.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.014 -1.054 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.668 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.2 mm100 -90.26 19.68 4.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.553 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.7 t0 -55.02 132.73 47.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.337 -0.852 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HB2' ' CD ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.571 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.749 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.749 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.2 mm100 -85.6 -97.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.626 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 -54.63 132.07 44.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.172 -0.955 . . . . 0.0 109.453 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.697 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.697 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mm100 -84.2 -2.59 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.464 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.527 ' HA ' HG13 ' A' ' 8' ' ' ILE . 53.4 t0 -54.4 133.76 45.52 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.584 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.719 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.7 mm100 -93.31 -89.29 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.603 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.833 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 -54.68 125.61 20.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.203 -0.936 . . . . 0.0 109.707 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.652 ' HB3' HG23 ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.772 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.4 mm100 -90.07 -161.48 0.79 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.601 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.811 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 -54.4 140.06 35.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.591 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.506 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mm100 -88.62 120.25 29.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.465 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 -53.47 133.0 40.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.727 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.727 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 4.8 mm100 -94.0 -125.27 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.618 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 -54.23 143.54 22.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.12 -0.988 . . . . 0.0 109.796 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.724 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 3.9 mm100 -91.14 -157.28 0.49 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.621 ' O ' ' NE2' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 -53.15 137.15 34.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.621 ' NE2' ' O ' ' A' ' 0' ' ' ACE . 2.2 mm100 -78.87 55.3 1.71 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.468 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 37.4 t0 -55.7 138.4 47.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.68 ' OE1' ' HB3' ' A' ' 15' ' ' ALA . 2.9 mm100 -90.69 4.73 50.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.479 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.72 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.913 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.913 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.0 mm-40 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.47 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 14.4 mm-40 . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.306 0.574 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.896 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.896 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.2 mm-40 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB3' HG23 ' A' ' 8' ' ' ILE . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.785 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.785 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.8 mm-40 . . . . . 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.434 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.302 0.572 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 8' ' ' ILE . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 8.5 mm-40 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 49.8 t0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.776 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.5 mm-40 . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.609 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.609 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.715 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.715 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.3 mm-40 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.534 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.351 0.595 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.823 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.823 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.795 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.795 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 14.0 mm-40 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.485 ' HA ' HG13 ' A' ' 8' ' ' ILE . 23.3 t0 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.687 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.849 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.2 mm-40 . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.347 0.594 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.55 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.855 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.642 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 6.7 mm-40 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.523 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.433 0.635 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.835 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.633 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.843 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.843 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.9 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.356 0.598 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.899 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.899 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 17.9 mm-40 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.521 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.228 0.537 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.555 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.706 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 7.2 mm-40 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 121.287 0.565 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 18.0 mm-40 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 8' ' ' ILE . 20.1 t0 . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.3 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.275 0.56 . . . . 0.0 109.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.53 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.872 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.7 mm-40 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.322 0.582 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.912 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.8 mm-40 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.819 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.819 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.0 mm-40 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.488 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.7 t0 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.51 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.571 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.895 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.4 mm-40 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.556 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.837 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.837 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.527 ' HA ' HG13 ' A' ' 8' ' ' ILE . 53.4 t0 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.421 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.584 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.868 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.6 mm-40 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 121.35 0.595 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.652 ' HB3' HG23 ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.928 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.928 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.2 mm-40 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 121.369 0.604 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.591 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.506 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.759 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.759 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 8.8 mm-40 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.874 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.874 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 19.5 mm-40 . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.447 0.641 . . . . 0.0 109.796 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.872 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.4 mm-40 . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.588 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 7.7 mm-40 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 37.4 t0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.471 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.476 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.836 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.836 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 9.9 mm-40 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.462 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 t0 -54.35 134.43 45.41 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.881 . . . . 0.0 109.258 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.5 ttpp -102.62 15.61 28.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.158 -0.964 . . . . 0.0 109.906 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 29.9 t0 -117.96 -7.49 10.88 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.439 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.69 31.26 77.94 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 3' ' ' ASP . 5.1 p-10 -112.19 -40.25 4.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.305 -1.115 . . . . 0.0 109.49 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.412 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . 123.36 6.12 7.58 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 6' ' ' GLY . 22.6 m-85 -137.94 144.83 41.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -1.145 . . . . 0.0 109.239 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.72 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -112.45 126.39 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.361 -0.837 . . . . 0.0 108.964 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.4 m -85.6 177.69 7.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.732 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -75.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.363 -0.836 . . . . 0.0 109.783 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.71 -20.11 5.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.194 -0.941 . . . . 0.0 109.281 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.3 tt0 -74.82 -60.43 2.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.388 -0.82 . . . . 0.0 108.953 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.72 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.23 -38.62 3.91 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.9 30.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.913 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.93 -18.91 23.04 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.652 -0.655 . . . . 0.0 109.244 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.913 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.0 mm-40 -98.18 72.49 2.15 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.276 -0.89 . . . . 0.0 109.369 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.971 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.47 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.826 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.504 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 44.0 t0 -54.8 136.49 46.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.208 -0.933 . . . . 0.0 109.571 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 4.7 tptt -95.55 -18.21 20.78 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.84 . . . . 0.0 110.062 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -94.78 -11.11 29.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.073 -1.017 . . . . 0.0 109.549 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.51 23.42 77.61 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 17.1 p-10 -103.89 7.58 36.85 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.161 -1.2 . . . . 0.0 109.497 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.74 7.33 83.39 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 96.5 m-85 -133.4 141.01 47.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.164 -1.198 . . . . 0.0 109.555 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -115.37 124.96 72.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.349 -0.845 . . . . 0.0 109.146 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 m -82.81 -179.77 7.54 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.369 -0.832 . . . . 0.0 109.586 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 -66.98 0.46 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.251 -0.905 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.31 -17.37 11.85 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.269 -0.894 . . . . 0.0 109.078 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 6.9 tt0 -81.76 -60.2 2.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.675 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.97 -38.87 3.7 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -36.86 21.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.24 -21.4 20.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.656 -0.653 . . . . 0.0 109.29 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 14.4 mm-40 -91.31 -85.63 0.23 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 109.454 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.947 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.784 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.515 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 39.5 t0 -54.66 127.87 30.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.0 tmtm? -75.21 -32.37 61.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.273 -0.892 . . . . 0.0 109.669 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.76 -18.44 21.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.157 -0.964 . . . . 0.0 109.507 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.14 35.11 35.2 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.515 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 5.9 p-10 -99.82 -25.24 14.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -1.194 . . . . 0.0 109.37 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.45 -0.7 16.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -136.78 140.03 42.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.162 -1.199 . . . . 0.0 109.702 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -110.6 128.21 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.565 -0.709 . . . . 0.0 109.383 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.452 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 44.9 m -86.21 -177.2 6.19 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.197 -0.939 . . . . 0.0 109.664 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.49 -73.01 0.1 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.322 -0.861 . . . . 0.0 109.346 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.73 -21.23 3.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.208 -0.933 . . . . 0.0 108.853 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.4 tt0 -75.96 -61.15 2.03 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.462 -0.774 . . . . 0.0 109.093 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -41.25 26.79 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -35.15 14.57 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.896 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -29.96 16.2 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.896 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.2 mm-40 -82.6 119.29 24.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.259 -0.9 . . . . 0.0 109.346 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.469 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.847 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.47 ' OD2' ' N ' ' A' ' 6' ' ' GLY . 42.6 t0 -54.25 130.03 37.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.034 -1.041 . . . . 0.0 109.468 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.528 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.7 tttt -74.07 -22.29 59.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.272 -0.892 . . . . 0.0 109.687 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -109.01 -1.27 19.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.675 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 32.04 80.77 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.6 p30 -94.82 -23.55 17.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -1.135 . . . . 0.0 109.444 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.47 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 110.95 0.09 28.62 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 97.3 m-85 -133.92 132.64 40.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.194 -1.18 . . . . 0.0 109.635 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.9 mp -108.28 126.77 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.386 -0.822 . . . . 0.0 108.966 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.8 m -81.72 -176.68 6.2 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.997 . . . . 0.0 109.571 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.56 -68.77 0.3 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.937 . . . . 0.0 109.491 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -15.43 19.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.955 . . . . 0.0 109.164 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.536 ' HB3' HG23 ' A' ' 8' ' ' ILE . 7.0 tt0 -76.05 -58.53 3.23 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.392 -0.817 . . . . 0.0 109.405 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.6 -38.56 9.74 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.32 -37.9 38.99 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.785 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.16 -25.08 18.86 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.785 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.8 mm-40 -84.28 -90.99 0.09 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.396 -0.815 . . . . 0.0 109.428 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.478 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.782 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.434 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t0 -53.84 133.07 42.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.253 -0.904 . . . . 0.0 109.491 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.1 tttt -76.19 -32.77 59.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.86 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -95.99 -10.24 29.1 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.055 -1.028 . . . . 0.0 109.638 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.76 42.94 92.83 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -106.77 -26.0 11.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.277 -1.131 . . . . 0.0 109.419 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.07 -0.09 14.68 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -137.7 137.49 38.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -1.15 . . . . 0.0 109.796 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.65 124.1 67.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 108.917 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 55.8 m -79.83 -176.45 5.43 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.21 -0.931 . . . . 0.0 109.709 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -71.8 0.15 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.304 -0.873 . . . . 0.0 109.17 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.32 -20.17 6.73 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.045 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 8' ' ' ILE . 5.4 tt0 -74.86 -60.38 2.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.402 -0.811 . . . . 0.0 109.083 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.588 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.82 -39.17 17.59 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.05 -37.18 43.87 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -32.44 15.34 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 8.5 mm-40 -75.8 -17.0 60.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.942 . . . . 0.0 109.378 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.049 -1.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.41 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 49.8 t0 -55.87 136.16 51.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -88.46 -13.26 40.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.192 -0.942 . . . . 0.0 110.008 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.07 4.33 24.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.97 -1.081 . . . . 0.0 109.93 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.48 28.0 27.44 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 3.8 p-10 -94.46 -31.16 14.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.428 -1.043 . . . . 0.0 109.351 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.72 7.27 13.58 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -141.53 139.53 33.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.176 -1.191 . . . . 0.0 109.705 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -111.59 125.24 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.397 -0.815 . . . . 0.0 109.096 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 21.7 m -82.54 175.63 10.04 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 109.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.17 -66.97 0.4 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.226 -0.921 . . . . 0.0 109.087 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.44 -19.71 25.61 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 0.0 108.946 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 15' ' ' ALA . 7.7 tt0 -78.67 -58.69 3.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 109.442 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.606 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.39 -40.02 11.36 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -35.44 19.21 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.71 -22.57 20.14 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.776 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.5 mm-40 -91.55 124.44 35.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.85 . . . . 0.0 109.386 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.825 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 7' ' ' TYR . 9.9 t0 -53.82 133.77 42.5 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.76 -33.64 70.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.269 -0.894 . . . . 0.0 109.748 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.1 -9.99 23.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -0.953 . . . . 0.0 109.556 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.59 35.18 62.78 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 2.3 p30 -94.27 -25.0 17.22 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.282 -1.129 . . . . 0.0 109.129 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.21 -2.95 20.68 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 73.7 m-85 -134.94 133.63 39.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.043 -1.269 . . . . 0.0 110.003 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.609 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -106.38 128.19 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.5 m -82.18 -171.66 3.54 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.035 -1.041 . . . . 0.0 109.539 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.02 -73.89 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 109.434 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.88 -17.5 16.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.6 tt0 -72.73 -56.68 4.92 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.235 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.609 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.09 -39.33 27.6 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.8 -36.53 37.57 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.715 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.88 -26.83 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.715 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.3 mm-40 -77.89 24.9 0.22 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.328 -0.858 . . . . 0.0 109.577 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.473 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.807 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.534 ' HA ' HG13 ' A' ' 8' ' ' ILE . 28.9 t0 -56.9 130.66 46.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 70.2 tttt -79.94 -25.29 40.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -0.877 . . . . 0.0 109.539 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -94.89 -13.59 25.3 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.07 21.78 75.34 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 4.3 p-10 -94.73 -7.85 39.38 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.136 -1.214 . . . . 0.0 109.548 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.22 -11.97 67.0 Favored Glycine 0 N--CA 1.491 2.331 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.33 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.466 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 98.3 m-85 -117.73 134.74 54.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.899 -1.353 . . . . 0.0 110.107 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -108.29 126.5 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -82.92 -173.98 5.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.11 -0.994 . . . . 0.0 109.944 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.76 0.2 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.352 -0.843 . . . . 0.0 109.505 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.17 -15.98 17.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.199 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.6 tt0 -76.92 -57.89 3.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.419 -0.801 . . . . 0.0 109.49 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.66 -40.62 40.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.352 -0.843 . . . . 0.0 108.859 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.8 -35.03 5.81 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.823 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.23 -33.72 14.55 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.823 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.6 mm-40 -75.99 67.29 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.289 -0.882 . . . . 0.0 109.53 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.464 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.773 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 67.6 t0 -54.55 130.43 39.89 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.03 -26.71 48.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.783 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' HB2' ' OD2' ' A' ' 5' ' ' ASP . 70.3 m-20 -95.02 2.59 55.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.092 -1.005 . . . . 0.0 109.622 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.68 26.88 54.27 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.498 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 4.0 p30 -98.16 -17.47 19.01 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -1.149 . . . . 0.0 109.587 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 104.11 -8.92 49.99 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 54.6 m-85 -118.65 133.96 55.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.174 -1.192 . . . . 0.0 109.785 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -109.74 125.08 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.503 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.4 m -78.79 -176.45 4.95 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.112 -0.992 . . . . 0.0 109.863 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -64.52 0.89 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.332 -0.855 . . . . 0.0 109.448 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -18.77 65.57 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.4 tt0 -72.13 -55.33 7.49 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.07 -39.51 42.43 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.69 -34.6 12.26 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.795 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.22 -37.76 12.5 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.795 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 14.0 mm-40 -70.85 -64.41 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.364 -0.835 . . . . 0.0 109.526 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.835 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.485 ' HA ' HG13 ' A' ' 8' ' ' ILE . 23.3 t0 -54.62 134.6 46.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.147 -0.971 . . . . 0.0 109.466 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -97.48 -13.83 21.49 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.19 -0.944 . . . . 0.0 109.771 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -95.82 -40.8 9.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.169 -0.957 . . . . 0.0 109.463 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.51 23.38 6.01 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -108.36 6.28 26.25 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.232 -1.158 . . . . 0.0 109.528 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.478 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 74.09 2.28 61.81 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -126.12 134.98 51.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -1.212 . . . . 0.0 109.71 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.9 mp -105.4 130.69 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.514 -0.741 . . . . 0.0 109.533 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 73.9 m -84.06 -170.54 3.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.219 -0.926 . . . . 0.0 109.278 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.42 -73.34 0.13 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 109.582 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.5 -20.49 31.61 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.245 -0.909 . . . . 0.0 109.364 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.8 tt0 -69.99 -56.66 6.4 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.421 -0.799 . . . . 0.0 109.128 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.687 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.45 -41.4 40.04 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.31 -33.78 21.3 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.96 -28.28 17.33 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.849 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.2 mm-40 -83.46 -71.53 0.5 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 109.461 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.462 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.498 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.9 t0 -54.6 136.8 44.77 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.944 . . . . 0.0 109.582 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -59.09 2.92 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.321 -0.862 . . . . 0.0 109.672 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.19 -13.59 23.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.24 53.61 4.09 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 34.3 p-10 -94.92 -38.33 10.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -1.17 . . . . 0.0 109.602 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 163.97 -34.68 0.29 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -144.77 174.33 11.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.146 -1.208 . . . . 0.0 109.7 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.55 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.2 mp -109.03 127.23 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.128 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 52.7 m -84.81 -178.29 6.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.092 -1.005 . . . . 0.0 109.631 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.72 -74.5 0.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.247 -0.908 . . . . 0.0 109.286 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.93 -23.46 2.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.165 -0.959 . . . . 0.0 108.627 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 6.1 tt0 -72.98 -59.91 2.48 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.21 -39.29 20.61 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.26 -35.46 7.77 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.855 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.84 -26.59 18.43 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.855 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 11.3 mm-40 -90.82 51.06 1.9 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.277 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.77 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 8' ' ' ILE . 36.3 t0 -54.27 127.08 25.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.155 -0.965 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.515 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.2 tttp -99.77 29.09 4.31 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.334 -0.854 . . . . 0.0 109.595 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -137.5 -44.53 0.54 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.273 -0.892 . . . . 0.0 109.288 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 19.48 8.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -101.89 -13.85 17.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.348 -1.089 . . . . 0.0 109.458 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 1' ' ' ASP . . . 96.02 -3.24 64.46 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -126.87 142.22 51.61 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.171 -1.194 . . . . 0.0 109.935 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -107.05 123.8 62.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.5 m -76.17 -179.73 5.2 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.018 -1.051 . . . . 0.0 109.626 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -66.19 0.57 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -61.58 -21.03 63.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.346 -0.846 . . . . 0.0 109.385 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 9.9 tt0 -70.27 -57.4 4.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.299 -0.876 . . . . 0.0 108.978 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.65 -37.64 8.57 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.57 -38.85 10.08 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.36 -25.41 18.54 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.642 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 6.7 mm-40 -86.71 162.91 17.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.178 -0.951 . . . . 0.0 109.308 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.478 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' HA ' HG13 ' A' ' 8' ' ' ILE . 19.9 t0 -53.3 137.35 35.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.237 -0.914 . . . . 0.0 109.596 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -74.75 -31.85 61.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.411 -0.806 . . . . 0.0 109.822 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CB ' ' OD2' ' A' ' 5' ' ' ASP . 0.4 OUTLIER -99.79 -21.49 15.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.149 -0.97 . . . . 0.0 109.554 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.84 36.95 6.56 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.97 6.09 28.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.352 -1.087 . . . . 0.0 109.335 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.33 7.6 78.31 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -130.25 124.96 33.67 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.169 -1.195 . . . . 0.0 109.819 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.5 mp -109.77 125.12 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -82.11 179.52 7.78 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.125 -0.984 . . . . 0.0 109.801 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.91 -72.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.381 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.67 -20.24 20.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.293 -0.88 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.9 tt0 -73.98 -56.34 5.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.278 -0.889 . . . . 0.0 109.355 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.27 -39.43 6.51 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.25 34.18 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.835 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.95 -24.98 19.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.536 -0.728 . . . . 0.0 109.191 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.835 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 18.1 mm-40 -81.89 -42.53 19.41 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.322 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.462 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.781 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.484 ' HA ' HG13 ' A' ' 8' ' ' ILE . 3.8 t0 -53.99 136.36 41.44 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.234 -0.916 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -95.33 4.47 53.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.212 -0.93 . . . . 0.0 109.645 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.75 -41.8 2.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.266 -0.896 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.43 11.3 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -99.4 -5.23 29.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.396 -1.061 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.81 0.11 72.5 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' O ' ' OD2' ' A' ' 1' ' ' ASP . 2.9 m-85 -132.17 138.78 48.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.132 -1.217 . . . . 0.0 109.787 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.633 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.33 124.15 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -79.78 -179.49 6.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.07 -1.019 . . . . 0.0 109.675 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.34 -76.06 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.351 -0.843 . . . . 0.0 109.307 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.65 -23.42 2.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.0 108.748 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.41 -60.39 2.26 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.633 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -50.62 -42.12 55.73 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.56 -34.05 16.55 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.843 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.97 -33.7 14.75 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.843 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.9 mm-40 -79.73 128.07 32.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.299 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.043 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.467 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.809 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 26.0 t0 -54.24 134.68 44.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.92 . . . . 0.0 109.698 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -57.82 5.41 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.415 -0.803 . . . . 0.0 110.071 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.55 -12.59 25.47 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.155 -0.965 . . . . 0.0 109.938 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 51.93 5.91 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.516 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 22.6 p-10 -95.22 -41.77 8.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.335 -1.097 . . . . 0.0 109.431 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 175.17 -44.07 0.13 Allowed Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 9.9 p90 -145.5 -179.62 6.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.137 -1.213 . . . . 0.0 109.961 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.33 130.04 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.8 m -84.31 -176.28 6.18 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.216 -0.928 . . . . 0.0 109.793 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -64.34 0.89 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.361 -0.837 . . . . 0.0 109.271 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -16.91 59.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.216 -0.928 . . . . 0.0 109.036 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.3 tt0 -77.59 -58.57 3.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.457 -0.777 . . . . 0.0 109.416 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.64 -35.82 1.92 Allowed 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 -39.05 12.86 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.899 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.9 -21.61 20.51 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.899 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 17.9 mm-40 -91.28 125.46 36.05 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.367 -0.833 . . . . 0.0 109.44 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.979 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.485 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' HA ' HG13 ' A' ' 8' ' ' ILE . 34.7 t0 -56.95 132.75 53.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.2 ttpp -74.64 -23.91 58.76 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.92 . . . . 0.0 109.269 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.25 0.64 18.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.4 33.52 58.67 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.56 -17.7 22.12 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.341 -1.094 . . . . 0.0 109.22 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.17 -3.47 33.32 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -130.45 134.83 47.41 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.15 -1.206 . . . . 0.0 109.779 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.555 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.8 mp -112.77 120.27 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.384 -0.822 . . . . 0.0 109.05 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 48.4 m -77.11 174.85 10.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.197 -0.94 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.53 -72.81 0.06 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.367 -0.833 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.32 -23.7 6.28 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.238 -0.914 . . . . 0.0 108.813 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 5.3 tt0 -71.98 -59.66 2.63 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.07 -39.57 9.49 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.48 39.01 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.78 -18.41 23.91 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.706 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 7.2 mm-40 -97.08 -87.41 0.31 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.182 -0.949 . . . . 0.0 109.285 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.774 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.522 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.4 t0 -54.14 142.21 26.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -52.5 19.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.373 -0.829 . . . . 0.0 109.437 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -105.01 -35.52 7.62 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 109.441 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 51.74 0.57 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 35.0 p-10 -94.8 -27.26 15.86 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -1.127 . . . . 0.0 109.467 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.55 -45.77 0.55 Allowed Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.726 -1.226 . . . . 0.0 110.182 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -140.66 176.34 8.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.991 -1.299 . . . . 0.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.0 mp -106.73 128.68 61.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.675 -0.64 . . . . 0.0 109.522 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 71.5 m -83.78 -177.62 6.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.295 -0.878 . . . . 0.0 109.71 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.93 -71.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.95 -19.55 6.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.17 -0.956 . . . . 0.0 109.146 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.628 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -73.76 -58.5 3.26 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.442 -0.786 . . . . 0.0 109.148 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.7 -38.23 4.25 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.13 -37.36 21.66 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.869 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.63 -23.71 19.76 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.869 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 18.0 mm-40 -92.34 65.57 4.58 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.38 -0.825 . . . . 0.0 109.37 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.0 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 8' ' ' ILE . 20.1 t0 -53.83 134.67 42.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.18 -0.95 . . . . 0.0 109.365 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.0 tttm -69.53 -41.59 75.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.285 -0.885 . . . . 0.0 109.751 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.69 -2.33 51.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.203 -0.935 . . . . 0.0 109.546 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 61.95 38.95 96.88 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 7' ' ' TYR . 3.4 p30 -98.91 -11.25 21.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.286 -1.126 . . . . 0.0 109.462 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.28 4.33 53.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB2' ' OD1' ' A' ' 5' ' ' ASP . 12.2 m-85 -138.82 132.12 30.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.081 -1.246 . . . . 0.0 109.879 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 1.7 mp -110.75 121.35 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 19.7 m -76.09 170.63 15.92 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.091 -1.006 . . . . 0.0 109.857 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.24 -56.82 16.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.305 -0.872 . . . . 0.0 109.371 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.54 -13.52 62.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.231 -0.918 . . . . 0.0 109.111 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 15.4 tt0 -80.92 -54.43 5.59 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.84 -40.37 13.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.54 -36.6 24.08 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.741 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.72 -26.66 18.5 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.741 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 16.6 mm-40 -79.75 59.53 3.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.45 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.948 -1.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.3 t0 -57.02 133.92 55.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.874 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.53 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 2.0 tmtp? -77.61 -13.2 59.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 109.955 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.25 -40.66 2.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.097 -1.002 . . . . 0.0 109.664 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 53.36 0.49 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -127.52 3.11 6.21 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.352 -1.087 . . . . 0.0 109.465 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 7' ' ' TYR . . . 75.11 18.92 80.07 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CD1' ' O ' ' A' ' 6' ' ' GLY . 47.1 m-85 -143.17 125.68 15.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -1.144 . . . . 0.0 109.565 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.595 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.52 124.43 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.498 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 46.0 m -83.92 168.84 15.66 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.131 -0.981 . . . . 0.0 109.469 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.83 -69.54 0.11 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -0.899 . . . . 0.0 109.177 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.91 -21.42 7.8 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.5 tt0 -78.06 -60.6 2.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.459 -0.776 . . . . 0.0 109.107 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.94 -37.95 7.02 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -47.28 -36.68 9.52 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.872 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.86 -33.15 15.05 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.7 mm-40 -76.32 139.31 40.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.291 -0.88 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.97 -1.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.502 ' O ' ' CG ' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.818 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 7.4 t0 -54.35 135.87 44.4 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.649 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -65.84 -57.16 8.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.416 -0.802 . . . . 0.0 109.527 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.04 -19.26 15.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.684 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 90.38 54.68 2.07 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 6' ' ' GLY . 41.0 p-10 -99.18 -29.7 12.7 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.259 -1.141 . . . . 0.0 109.555 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.528 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.06 -57.72 0.3 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.09 175.99 8.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.183 -1.186 . . . . 0.0 109.693 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG23 ' HB3' ' A' ' 12' ' ' GLU . 3.1 mp -104.8 131.42 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.588 -0.695 . . . . 0.0 109.411 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 64.0 m -85.76 -172.31 4.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.359 -0.838 . . . . 0.0 109.943 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 -74.54 0.1 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.391 -0.818 . . . . 0.0 109.356 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -20.35 6.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.89 . . . . 0.0 109.17 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.65 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -71.01 -59.12 2.95 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.454 -0.779 . . . . 0.0 109.01 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.37 -37.36 11.06 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.68 7.82 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.912 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.14 -31.6 15.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.912 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.8 mm-40 -83.07 172.38 12.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.45 -0.781 . . . . 0.0 109.471 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.967 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.76 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 13.5 t0 -54.1 139.21 35.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.014 -1.054 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 7.2 ttpp -78.61 -33.95 47.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 109.809 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.15 -20.68 9.74 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.15 -0.969 . . . . 0.0 109.662 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.63 48.89 4.06 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 12.9 p-10 -94.75 -41.58 9.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.282 -1.128 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.12 -39.16 0.21 Allowed Glycine 0 N--CA 1.49 2.237 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.049 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -145.74 173.42 12.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.268 . . . . 0.0 110.252 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.8 mp -104.2 127.55 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 74.3 m -81.73 -176.4 6.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.124 -0.985 . . . . 0.0 109.181 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -69.75 0.26 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.031 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 -21.33 8.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.17 -0.957 . . . . 0.0 108.655 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 8' ' ' ILE . 4.6 tt0 -72.82 -58.54 3.26 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -44.98 -38.44 4.74 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.99 -37.63 20.83 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.819 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.0 -24.22 19.29 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.819 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.0 mm-40 -90.26 19.68 4.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.349 -0.844 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.41 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.7 t0 -55.02 132.73 47.78 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.337 -0.852 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.51 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -98.19 -17.34 19.05 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.906 . . . . 0.0 109.527 179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.478 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 23.1 t0 -97.17 -5.28 37.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.233 -0.917 . . . . 0.0 109.457 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.79 24.96 50.97 Favored Glycine 0 N--CA 1.489 2.171 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.467 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 3.9 p30 -93.36 -21.96 19.23 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -1.171 . . . . 0.0 109.071 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.62 -24.44 6.81 Favored Glycine 0 N--CA 1.491 2.36 0 C-N-CA 119.845 -1.169 . . . . 0.0 110.585 179.1 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -124.03 157.27 34.85 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.884 -1.362 . . . . 0.0 110.228 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.571 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.6 mp -110.65 120.04 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.494 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 58.0 m -77.61 171.05 15.51 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.171 -0.955 . . . . 0.0 109.747 -179.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.01 -73.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.36 -0.838 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -22.28 3.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.204 -0.935 . . . . 0.0 108.925 179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.7 tt0 -73.66 -59.96 2.47 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.571 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.61 -40.14 18.67 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -35.53 24.35 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.62 -28.32 17.58 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.329 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.895 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 15.4 mm-40 -85.6 -97.7 0.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.302 -0.874 . . . . 0.0 109.367 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.765 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 43.2 t0 -54.63 132.07 44.56 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.172 -0.955 . . . . 0.0 109.453 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.556 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 8.3 tttt -98.66 -24.85 14.91 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.135 -0.978 . . . . 0.0 110.114 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -94.95 -10.11 32.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.041 -1.037 . . . . 0.0 109.655 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' CA ' ' OD2' ' A' ' 1' ' ' ASP . . . 59.73 38.36 93.76 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 5' ' ' ASP . 22.6 p-10 -97.68 -48.93 5.04 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.358 -1.083 . . . . 0.0 109.441 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 162.4 -23.82 0.21 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -141.36 169.93 16.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.247 . . . . 0.0 109.955 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.585 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.4 mp -109.19 122.07 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 108.911 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 68.3 m -79.29 178.03 8.39 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.096 -1.002 . . . . 0.0 109.752 -179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -74.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.284 -0.885 . . . . 0.0 109.358 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.13 -23.03 1.9 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 108.601 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.4 tt0 -73.48 -59.96 2.47 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.476 -0.765 . . . . 0.0 109.013 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.585 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -49.42 -42.02 41.46 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -48.17 -34.64 10.28 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.182 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.837 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.6 -30.39 15.65 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.837 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.1 mm-40 -84.2 -2.59 57.15 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.277 -0.889 . . . . 0.0 109.406 -179.632 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.464 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.527 ' HA ' HG13 ' A' ' 8' ' ' ILE . 53.4 t0 -54.4 133.76 45.52 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.16 -0.963 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 6.0 ttpt -101.28 -18.35 16.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.911 -179.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' HB2' ' OE2' ' A' ' 12' ' ' GLU . 3.0 t0 -94.52 -28.07 15.63 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.114 -0.991 . . . . 0.0 109.474 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.99 29.32 15.6 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' CG ' ' CE1' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -104.93 -14.39 15.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.113 -1.228 . . . . 0.0 109.26 179.7 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.3 -18.4 33.21 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.893 -1.146 . . . . 0.0 110.261 179.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.504 ' CE1' ' CG ' ' A' ' 5' ' ' ASP . 50.7 p90 -120.9 150.4 41.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.957 -1.32 . . . . 0.0 110.097 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.584 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.3 mp -110.07 123.99 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.526 -0.734 . . . . 0.0 109.061 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.512 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.6 m -81.42 162.98 23.12 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.213 -0.93 . . . . 0.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.26 -71.98 0.07 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 109.508 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.93 9.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -0.953 . . . . 0.0 109.018 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.6 tt0 -72.93 -57.61 3.93 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -48.49 -41.79 30.88 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.31 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.88 -34.11 12.02 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.85 -24.82 19.23 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.868 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.6 mm-40 -93.31 -89.29 0.21 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.213 -0.833 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 42.5 t0 -54.68 125.61 20.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.203 -0.936 . . . . 0.0 109.707 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -81.49 -32.16 32.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.873 . . . . 0.0 109.594 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.46 -8.6 34.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.0 109.682 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.08 37.24 91.35 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.454 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.2 p-10 -97.86 -37.06 9.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.48 -28.64 0.96 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -134.75 163.76 29.07 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.042 -1.27 . . . . 0.0 110.22 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' A' ' 12' ' ' GLU . 2.7 mp -108.69 127.59 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.461 -0.774 . . . . 0.0 109.694 -179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 70.0 m -84.05 167.74 16.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.239 -0.913 . . . . 0.0 109.7 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.71 -69.28 0.12 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.309 -0.869 . . . . 0.0 109.291 179.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.92 -21.35 4.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 108.834 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.652 ' HB3' HG23 ' A' ' 8' ' ' ILE . 3.8 tt0 -76.93 -61.66 1.9 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.201 179.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.29 -38.13 5.38 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -46.75 -38.53 10.17 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.928 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.82 -26.19 17.8 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.928 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 12.2 mm-40 -90.07 -161.48 0.79 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.306 -0.871 . . . . 0.0 109.502 -179.525 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.97 -1.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.463 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.811 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.487 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.8 t0 -54.4 140.06 35.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.18 -0.95 . . . . 0.0 109.663 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -67.4 -29.57 69.11 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.766 -179.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -115.97 -54.92 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.174 -0.954 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.01 45.4 0.08 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -106.26 -11.06 16.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.275 -1.132 . . . . 0.0 109.272 179.826 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.91 7.02 63.04 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 179.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -134.43 128.78 34.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.157 -1.202 . . . . 0.0 109.698 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.591 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.6 mp -107.42 124.98 63.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.512 -0.743 . . . . 0.0 109.119 179.858 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.506 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 69.7 m -83.8 -175.13 5.66 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.212 -0.93 . . . . 0.0 109.455 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -75.65 0.07 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 109.249 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.52 -23.73 2.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.215 -0.928 . . . . 0.0 108.644 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 5.0 tt0 -72.43 -60.62 2.14 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -47.13 -40.93 16.61 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.113 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.29 -34.52 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.759 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.92 -26.92 18.21 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.453 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.759 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 8.8 mm-40 -88.62 120.25 29.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.312 -179.812 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.465 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.214 -0.785 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 14.4 t0 -53.47 133.0 40.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -69.67 -49.15 56.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.343 -0.848 . . . . 0.0 109.928 -179.545 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.21 -5.1 24.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' HA2' ' HB3' ' A' ' 1' ' ' ASP . . . 67.7 51.2 37.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 21.0 p-10 -98.14 -30.24 12.77 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.354 -1.086 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 5' ' ' ASP . . . 159.96 -44.45 0.43 Allowed Glycine 0 N--CA 1.491 2.363 0 C-N-CA 119.591 -1.29 . . . . 0.0 110.154 179.853 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.73 175.31 9.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.019 -1.283 . . . . 0.0 110.062 -179.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.635 HG21 ' HA ' ' A' ' 13' ' ' ALA . 3.8 mp -108.47 130.51 61.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 109.123 179.78 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 49.2 m -87.42 -175.74 5.35 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.254 -0.904 . . . . 0.0 109.689 179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -72.24 0.15 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -0.896 . . . . 0.0 109.199 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.5 -19.94 6.75 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.318 -0.864 . . . . 0.0 108.937 179.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' OE1' ' HA ' ' A' ' 8' ' ' ILE . 8.6 tt0 -75.83 -60.98 2.08 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.431 -0.793 . . . . 0.0 109.012 179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -43.39 -36.42 1.92 Allowed 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.389 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.59 -39.42 49.77 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.874 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -91.48 -17.0 26.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.366 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.874 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 19.5 mm-40 -94.0 -125.27 0.1 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.33 -0.856 . . . . 0.0 109.332 179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.482 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.877 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.533 ' HA ' HG13 ' A' ' 8' ' ' ILE . 10.0 t0 -54.23 143.54 22.67 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.12 -0.988 . . . . 0.0 109.796 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.513 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 4.5 tttt -75.12 -37.16 61.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.329 -0.857 . . . . 0.0 109.682 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.39 -63.64 1.19 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.447 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.86 42.29 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.464 ' OD1' ' OD2' ' A' ' 1' ' ' ASP . 5.8 p-10 -99.85 -19.19 16.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.174 -1.192 . . . . 0.0 109.342 179.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.33 4.06 44.04 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -138.06 138.2 38.54 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.116 -1.226 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 HG13 ' HA ' ' A' ' 1' ' ' ASP . 1.8 mp -111.89 124.48 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.441 -0.787 . . . . 0.0 108.943 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 25.1 m -82.58 159.77 22.68 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.195 -0.941 . . . . 0.0 109.499 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 -70.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.43 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.7 -26.92 10.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.196 -0.94 . . . . 0.0 108.824 179.693 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 11.1 tt0 -71.55 -54.81 9.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.552 -0.717 . . . . 0.0 109.164 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -45.07 -36.63 3.67 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.49 -38.89 9.87 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.872 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.17 -20.97 20.66 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.477 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 13.4 mm-40 -91.14 -157.28 0.49 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.585 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.988 -1.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.483 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.874 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 5' ' ' ASP . 31.1 t0 -53.15 137.15 34.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.0 OUTLIER -73.06 -41.68 63.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.275 -0.891 . . . . 0.0 110.078 -179.354 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -42.83 8.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.143 -0.973 . . . . 0.0 109.634 -179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.58 35.99 1.35 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.1 p-10 -94.18 -20.56 19.75 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.48 -1.012 . . . . 0.0 109.455 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.25 -5.79 28.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.831 -1.307 . . . . 0.0 109.831 179.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -129.83 139.7 51.16 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.223 -1.163 . . . . 0.0 109.92 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 13' ' ' ALA . 1.7 mp -110.59 123.21 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.359 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.519 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 51.7 m -81.37 171.48 14.72 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.09 -1.006 . . . . 0.0 110.006 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.81 -69.85 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.347 -0.846 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.93 -19.42 6.65 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.266 -0.896 . . . . 0.0 108.897 179.54 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 7.9 tt0 -78.31 -56.98 4.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.509 -0.744 . . . . 0.0 109.341 179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.21 -38.17 8.06 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.12 -36.72 19.69 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.588 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.45 -31.15 15.38 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.541 -0.725 . . . . 0.0 109.357 179.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 7.7 mm-40 -78.87 55.3 1.71 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.426 -179.565 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.468 ' O ' ' HB3' ' A' ' 16' ' ' GLN . . . . . . . . 0 C--O 1.215 -0.753 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.493 ' HA ' HG13 ' A' ' 8' ' ' ILE . 37.4 t0 -55.7 138.4 47.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.145 -0.972 . . . . 0.0 109.48 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -104.0 -7.7 20.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -0.96 . . . . 0.0 109.791 -179.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.94 -10.17 29.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.107 -0.995 . . . . 0.0 109.699 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.98 28.58 64.34 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.351 -1.5 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.476 ' N ' ' OD2' ' A' ' 1' ' ' ASP . 6.3 p-10 -114.73 -29.14 6.87 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -1.107 . . . . 0.0 109.418 179.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.48 -27.46 8.01 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HB3' ' OD2' ' A' ' 5' ' ' ASP . 28.4 t80 -98.65 139.48 34.3 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.243 -1.151 . . . . 0.0 109.659 -179.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.638 HG21 ' HA ' ' A' ' 13' ' ' ALA . 2.0 mp -108.1 124.56 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.312 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' GLU . 50.3 m -79.52 173.21 12.81 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.01 . . . . 0.0 109.336 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -67.29 0.29 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.928 . . . . 0.0 109.159 179.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -18.03 25.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.194 -0.941 . . . . 0.0 109.23 179.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 8.1 tt0 -77.03 -58.18 3.43 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.383 -0.823 . . . . 0.0 109.317 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.638 ' HA ' HG21 ' A' ' 8' ' ' ILE . . . -46.92 -40.05 13.44 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.97 -33.86 11.84 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.836 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -92.19 -26.35 18.25 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.836 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 9.9 mm-40 -90.69 4.73 50.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.401 -0.812 . . . . 0.0 109.415 -179.838 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.969 -1.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_